Molecular Computing Research Topics Ideas [MS PhD]
List of Research Topics and Ideas of Molecular Computing for MS and Ph.D. Thesis.
- The art of molecular computing: Whence and whither
- The prospects of quantum computing in computational molecular biology
- Prospects of Quantum Computing for Molecular Sciences
- Quantum solver of contracted eigenvalue equations for scalable molecular simulations on quantum computing devices
- New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems
- Programming Molecular Circuitry and Intracellular Computing with Framework Nucleic Acids
- Computing the Mostar index in networks with applications to molecular graphs
- Engineering DNA Switches for DNA Computing Applications
- Protein Structured Reservoir computing for Spike-based Pattern Recognition
- Open-Architecture Program of Fragment Molecular Orbital Method for Massive Parallel Computing (OpenFMO) with GPU Acceleration
- DNA Computing: Origination, Motivation, and Goals–Illustrated Introduction
- DNA Computing and Circuits
- DNA Computing: Versatile Logic Circuits and Innovative Bio-applications
- Nanopore Decoding for DNA Computing
- Nucleic Acid-Based Computing in Living Cells Using Strand Displacement Processes
- DNA computing storage implementation
- Interfacing Enzyme-Based and DNA-Based Computing Systems: From Simple Boolean Logic to Sophisticated Reversible Logic Systems
- The Magnetic Bead Computing Model of the 0-1 Integer Programming Problem Based on DNA Cycle Hybridization
- Computing Wall Thickness and Young’s Modulus of Carbon Nanotubes with Atomistic Molecular Dynamics Simulations
- Multivariate Optical Computing and Next-generation Spectrometer
- Computing Analysis of Zagreb Indices for Generalized Sum Graphs under Strong Product
- GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP
- MEGA11: Molecular Evolutionary Genetics Analysis version 11
- Evaluation of CO2 Absorption by Amino Acid Salt Aqueous Solution Using Hybrid Soft Computing Methods
- A Web-Based Tool for Simulating Molecular Dynamics in Cloud Environments
- Molecular trees with extremal values of Sombor indices
- Toward crowdsourced drug discovery: start-up of the volunteer computing project SiDock@ home
- Computing Grain Boundary Diagrams: From Thermodynamic to Mechanical Properties
- Quantum computing
- Implementation of biomolecular logic gate using DNA and electrically doped GaAs nano-pore: a first principle paradigm
- 86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
- A Review on Soft Computing Techniques in Nanomagnetism and Its Impact on Biomedical Applications
- Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy
- Programming Spatiotemporal Patterns with DNA-Based Circuits
- Computation with cells enhanced by costs
- Different molecular enumeration influences in deep learning: an example using aqueous solubility
- Data Hiding Using Deoxyribonucleic Acid (DNA) Computing With Morse Code Cryptosystem
- Large-Scale Scientific Computing in the Fight Against COVID-19
- In Silico Comparison of SP-A and ACE2 Binding to the SARS-CoV-2 Spike Protein Using Quantum Computing
- PCR and Bio-signature for data confidentiality and integrity in mobile cloud computing
- Mental-Computing Based Investigation of Kinetic and Mechanisms of Homogeneous Gas-Phase Oxidation of Methane by Hydrogen Peroxide
- Nontraditional Luminescent and Quenching Materials for Nucleic Acid-Based Molecular Photonic Logic
- DNA polymerase/NEase-assisted signal amplification coupled with silver nanoclusters for simultaneous detection of multiple microRNAs and molecular logic …
- Distributed Quantum Computing and Network Control for Accelerated VQE
- Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations
- High-Performance Computing Meeting challenges with new computational capabilities
- … ENRICHED REAL QUANTUM COMPUTING ALGORITHMS DESCRIBING ENTANGLEMENT AND SUPERPOSITION COMPUTATION FOR QUANTUM COMPUTING …
- Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations
- Strand Displacement in DNA-Based Nanodevices and Logic
- Cross-scale analysis of nickel Superalloy fatigue using Markov state model-molecular dynamics method
- International Journal of Mathematical Sciences and Computing (IJMSC)
- Simple Reservoir Computing Capitalizing on the Nonlinear Response of Materials: Theory and Physical Implementations
- Building Plant 3D Genome Computing Resources
- Exploring direct simulation Monte-Carlo techniques for science applications: faculty poster
- DNA Computing: Methodologies and Challenges
- An Anti-Collusion Information Sharing Scheme Provides Secure Scheme for Data Privacy in Cloud Computing
- Deoxyribonucleic Acid (DNA) Computing using Two-by-Six Complementary and Color Code Cipher
- Information Embedding Using DNA Sequences for Covert Communication
- Low-Cost Computing of the Thermophysical Properties of Organic–Inorganic Halide Perovskites by Density Functional Theory Combined with the Three-Dimensional …
- Computing Potential of the Mean Force Profiles for Ion Permeation Through Channelrhodopsin Chimera, C1C2
- An In Vivo Proposal of Cell Computing Inspired by Membrane Computing
- Interfacial molecular layering enhances specific heat of nanofluids: evidence from molecular dynamics
- A new 3D finite element-based approach for computing cell surface tractions assuming nonlinear conditions
- SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 3 (Raw Temperature Replica Exchange Molecular Dynamics Trajectories)
- Quantum Computing at the Intersection of Engineering, Technology, Science, and Societal Need: Design of NGSS-aligned Quantum Drug Discovery Lessons …
- Computing Without Computing: DNA Version
- Neuro-Computing Networks for Entropy Generation under the Influence of MHD and Thermal Radiation
- Screening of Prospective Plant Compounds as H1R and CL1R Inhibitors and Its Antiallergic Efficacy through Molecular Docking Approach
- Molecular recognition of SARS-CoV-2 spike glycoprotein: Quantum chemical hot spot and epitope analyses
- Telemedicine: An application of cloud computing
- Fluorescent Signal Design in DNA Logic Circuits
- Improving THz Coverage for 6G URLLC Services via Exploiting Mobile Computing
- Deploying Mass Spectrometric Data Analysis in the Amazon AWS Cloud Computing Environment.
- The Historiography of Molecular Biology
- On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices
- Data Integration Using Advances in Machine Learning in Drug Discovery and Molecular Biology
- Martini 3: a general purpose force field for coarse-grained molecular dynamics
- Next-generation trapped-ion quantum computing system
- Quantum Computing Looking Forward [Highlights]
- Molecular prevalence, characterization and associated risk factors of Anaplasma spp. and Theileria spp. in small ruminants in Northern Pakistan
- Computing the Local Ion Concentration Variations for Electric-Double-Layer-Modulation Microscopy
- Group Molecular Orbital Method and Python-Based Programming Approach
- Continuous Variable Quantum Computing with Trapped Ions
- CRYSTALLINE NANO-OPTOMECHANICAL TRANSDUCERS FOR MOLECULAR MACHINERY
- High-performance computing platforms: current status and development trends
- Quantum circuits with many photons on a programmable nanophotonic chip
- Genome-wide SNP analysis of Siamese cobra (Naja kaouthia) reveals the molecular basis of transitions between Z and W sex chromosomes and supports …
- Scientific parallel computing
- Construction algorithms at molecular graphs and their application
- Graph networks for molecular design
- Determining Surface Topography of a Dressed Grinding Wheel Using Bio-Inspired DNA-Based Computing
- A novel approach towards molecular memory device in gate tunable structure of MoS 2-graphene
- Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes
- VASPKIT: a user-friendly interface facilitating high-throughput computing and analysis using VASP code
- The Historiography of Molecular Evolution
- Quantum Computing Model
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- Trematode diversity reflecting the community structure of Danish freshwater systems: molecular clues
- Temperature Dependent Thermal and Elastic Properties of High Entropy (Ti0. 2Zr0. 2Hf0. 2Nb0. 2Ta0. 2) B2: Molecular Dynamics Simulation by Deep Learning …
- Designing nanotechnology QCA–multiplexer using majority function-based NAND for quantum computing
- Gutzwiller hybrid quantum-classical computing approach for correlated materials
- Interaction between piperine and genes associated with sciatica and its mechanism based on molecular docking technology and network pharmacology
- On the Role of Quantum Computing in Science and Cybersecurity
- Enhanced binding of the N501Y-mutated SARS-CoV-2 spike protein to the human ACE2 receptor: insights from molecular dynamics simulations
- Computing Specification-Compliant Reachable Sets for Motion Planning of Automated Vehicles
- The Role of Ubiquitous Computing in the Transformation of the Healthcare System
- Computational design of small molecular modulators of protein–protein interactions with a novel thermodynamic cycle: Allosteric inhibitors of HIV-1 integrase
- Molecular phylogeny and morphological diversity of the Niviventer fulvescens species complex with emphasis on species from China
- Binary logic operations with artificial molecular machines
- SARS-CoV-2 simulations go exascale to capture spike opening and reveal cryptic pockets across the proteome
- ICTV Virus Taxonomy Profile: Pospiviroidae
- A DNA Based Computational Algorithm for Timetable Problem
- Logical sensing with fluorescent molecular logic gates based on photoinduced electron transfer
- Computing Exact Values for Gutman Indices of Sum Graphs under Cartesian Product
- Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents
- Quantum computing opportunities in renewable energy
- Realising and compressing quantum circuits with quantum reservoir computing
- Tequila: A platform for rapid development of quantum algorithms
- Polarizability: a promising descriptor to study chemical–biological interactions
- Novel structural hybrids of quinoline and thiazole moieties: Synthesis and evaluation of antibacterial and antifungal activities with molecular modeling studies
- Efficient quantum measurement of Pauli operators in the presence of finite sampling error
- A New Function Mapping Approach in Defective Nanocrossbar Array Using Unique Number Sequence
- Bringing genomics research to the cloud: a qualitative case study of genomics cloud computing adoption
- Molecular characterization of Oxyspirura mansoni and Philophthalmus gralli collected from the eyes of domestic chickens in Bangladesh
- Ab Initio Formation Energy Calculations for Defect Complexes in Diamond, ZnSe and CdS for Room-Temperature Quantum Computing
- Atomistic Dynamics of Alternating Access Mechanism of an ABC Transporter
- Stimuli-Responsive Memristive Materials for Artificial Synapses and Neuromorphic Computing
- Scientific Computing in the Cavendish Laboratory and the pioneering women Computors
- Optimization of WAG in real geological field using rigorous soft computing techniques and nature-inspired algorithms
- Gator: A Python-driven program for spectroscopy simulations using correlated wave functions
- … in the structural understanding of amyloidogenicity and mutation-led conformational dynamics of amyloid beta (Aß) through molecular dynamics simulations and …
- eDNAFlow, an automated, reproducible and scalable workflow for analysis of environmental DNA sequences exploiting Nextflow and Singularity
- Molecular Epidemiology of Enterovirus in Children with Central Nervous System Infections
- First identification and molecular subtyping of Blastocystis sp. in zoo animals in southwestern China
- Optimize Cryptography Algorithm for Efficient Data Security on Cloud Computing
- ExoMol line lists–XLI. High-temperature molecular line lists for the alkali metal hydroxides KOH and NaOH
- Sleep deprivation impairs molecular clearance from the human brain
- Reducing qubit requirements while maintaining numerical precision for the variational quantum eigensolver: A basis-set-free approach
- A novel cryptosystem based on DNA cryptography and randomly generated Mealy machine
- Synthesis, antiproliferative activity, and molecular docking of some N-heterocycles bearing a pyrazole scaffold against liver and breast tumors
- Molecular Dynamics Simulations of His6-FLAG-hIFN? Fusion Glycoproteins
- Revisiting activity of some nocodazole analogues as a potential anticancer drugs using molecular docking and DFT calculations
- Engineering advanced logic and distributed computing in human CAR immune cells
- Video transaction algorithm considering FISCO alliance chain and improved trusted computing
- Scaling optical computing in synthetic frequency dimension using integrated cavity acousto-optics
- Orientational decoherence within molecules and emergence of the molecular shape
- Molecular cloning and characterization of HSP60 gene in domestic pigeons (Columba livia) and differential expression patterns under temperature stress
- Biological Regulatory Network (BRN) Analysis and Molecular Docking Simulations to Probe the Modulation of IP3R Mediated Ca2+ Signaling in Cancer
- Light-front field theory on current quantum computers
- How Does Quantum Physics and Quantum Computing Affect Us?
- Prediction of Process Parameters of Ultrasonically Welded PC/ABS Material Using Soft-Computing Techniques
- HiCOPS: High Performance Computing Framework for Tera-Scale Database Search of Mass Spectrometry based Omics Data
- Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein
- Simulation of 3D centimeter-scale continuum tumor growth at sub-millimeter resolution via distributed computing
- Molecular features of cancers exhibiting exceptional responses to treatment
- Morphogenetic systems for resource bounded computation and modeling
- Relevance of Near-Term Quantum Computing in the Cloud: A Humanities Perspective
- Combined Quantum Monte Carlo–Effective Fragment Molecular Orbital Method: Fragmentation Across Covalent Bonds
- Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi …
- Achieving an Order of Magnitude Speed-up in Hybrid Functional and Plane Wave based Ab Initio Molecular Dynamics: Applications to Proton Transfer Reactions in …
- ICT Investments on Economic Sectors With International Comparative Advantage and the Diffusion of Prosperity
- Flexible and transparent memristive synapse based on polyvinylpyrrolidone/N-doped carbon quantum dot nanocomposites for neuromorphic computing
- Novel piperazine–chalcone hybrids and related pyrazoline analogues targeting VEGFR-2 kinase; design, synthesis, molecular docking studies, and anticancer …
- Spatio-temporal feature learning with reservoir computing for T-cell segmentation in live-cell Ca 2 + fluorescence …
- First-principles path-integral based molecular dynamics simulation of hydrogen hydrate in C0 phase
- Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
- Using quantum annealers to calculate ground state properties of molecules
- Emerging role of graphene oxide as sorbent for pesticides adsorption: Experimental observations analyzed by molecular modeling
- Prosumer in smart grids based on intelligent edge computing: A review on Artificial Intelligence Scheduling Techniques
- Inclusive learning for quantum computing: supporting the aims of quantum literacy using the puzzle game Quantum Odyssey
- The Brain Chart of Aging: Machine-learning analytics reveals links between brain aging, white matter disease, amyloid burden, and cognition in the iSTAGING …
- Computing continuum-level explosive shock and detonation response over a wide pressure range from microstructural details
- Molecular detection and genetic identification of Wolbachia endosymbiont in Rhipicephalus sanguineus (Acari: Ixodidae) ticks of Taiwan
- Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability
- Molecular level simulations of combustion processes using the DSMC method
- A molecular systematic survey of the Iranian Persian Gulf octocorals (Cnidaria: Alcyonacea)
- A molecular single-cell lung atlas of lethal COVID-19
- Potential use of molecular and structural characterization of the gut bacterial community for postmortem interval estimation in Sprague Dawley rats
- Molecular Simulation and Statistical Learning Methods toward Predicting Drug–Polymer Amorphous Solid Dispersion Miscibility, Stability, and Formulation Design
- Equivariant message passing for the prediction of tensorial properties and molecular spectra
- A survey on analog models of computation
- Molecular epidemiology and genetic diversity of norovirus infection in children with acute gastroenteritis in Bangladesh, 2014-2019
- A Comparative Survey of Big Data Computing and HPC: From a Parallel Programming Model to a Cluster Architecture
- Predicting the Permeability of Macrocycles from Conformational Sampling–Limitations of Molecular Flexibility
- Ab Initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite
- Molecular viscosity and diffusivity effects in transitional and shock-driven mixing flows
- Assembling fullerenes in conjugated macrocycles with molecular van der Waals heterojunction for diode rectification
- Computational investigations of the lithium superoxide dimer rearrangement on noisy quantum devices
- Aerodynamic Database Development using a Bridging Function for a Conceptual Morphable Entry System
- Molecular identification of tumor-derived extracellular vesicles using thermophoresis-mediated DNA computation
- Degree-and irregularity-based molecular descriptors for benzenoid systems
- Using INFERNO to Infer the Molecular Mechanisms Underlying Noncoding Genetic Associations
- A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2
- Enhancing Redundant Content Elimination Algorithm Using Processing Power of Multi-Core Architecture
- HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR
- Hybrid electro search with genetic algorithm for task scheduling in cloud computing
- Recent Advances of In Silico Drug Discovery: Integrated Systems of Informatics and Simulation
- Multidrug Antimicrobial Resistance and Molecular Detection of mcr-1 Gene in Salmonella species Isolated from Chicken
- Nonequilibrium Molecular Dynamics Simulations of Coal Ash
- Intelligent approach based on FEM simulations and soft computing techniques for filling system design optimisation in sand casting processes
- A fast cycle detection method for power grids based on graph computing
- Hybrid analysis and modeling, eclecticism, and multifidelity computing toward digital twin revolution
- Mixed-valence clusters: Prospects for single-molecule magnetoelectrics
- Smart Sensing with Edge Computing in Precision Agriculture for Soil Assessment and Heavy Metal Monitoring: A Review
- The MolSSI QCArchive project: An open-source platform to compute, organize, and share quantum chemistry data
- Molecular Identification of Parasites Causing Cutaneous Leishmaniasis in Panama
- Generalized unitary coupled cluster excitations for multireference molecular states optimized by the variational quantum eigensolver
- Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd (111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics
- Dimensions of Timescales in Neuromorphic Computing Systems
- Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling
- Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts
- 2018-00761-Computational developments for integrative structural biology: small-angle scattering using polynomial expansions
- Determination of carbon nanotubes size-dependent parameters: Molecular dynamics simulation and nonlocal strain gradient continuum shell model
- The complete chloroplast genome of Cymbidium hookerianum (Orchidaceae): genome structure and basic analysis
- Quantum computation of dominant products in lithium–sulfur batteries
- Biometric-Based Seed Extraction Scheme for Multi-quadratic-Based Post-quantum Computing
- Detecting impersonation attacks in cloud computing environments using a centric user profiling approach
- Source of Indistinguishable Single Photons Based on Epitaxial InAs/GaAs Quantum Dots for Integration in Quantum Computing Schemes
- Graph Theoretic Algorithms Adaptable to Quantum Computing
- Parkinson’s Disease Prediction using Adaptive Quantum Computing
- Spin waves propagating through a stripe magnetic domain structure and their applications to reservoir computing
- A Trust-Based Approach for Volunteer-Based Distributed Computing in the Context of Biological Simulation
- Prediction by Soft Computing, Planning, and Strategy Building of Aquatic Catch: Chilika Lagoon, Odisha, India
- Serological Prevalence and Molecular Characterisation of Hepatitis E Virus in Imported Pigs in Singapore (2000-2019)
- PackStealLB: A scalable distributed load balancer based on work stealing and workload discretization
- X 0 (2900) and its heavy quark spin partners in molecular picture
- Underlying Mechanisms of the Electrolyte Structure and Dynamics on the Doped-Anode of Magnesium Batteries Based on the Molecular Dynamics Simulations
- Distributed Deep Learning Using Volunteer Computing-Like Paradigm
- Revisiting activity of some glucocorticoids as a potential inhibitor of SARS-CoV-2 main protease: theoretical study
- Cedrus Deodara Needle Oil and Bark Extract as Potential Therapeutic Candidate for Glaucoma
- Neuroimaging PheWAS (Phenome-Wide Association Study): A Free Cloud-Computing Platform for Big-Data, Brain-Wide Imaging Association Studies
- Accuracy of molecular drug susceptibility testing amongst tuberculosis patients in Karakalpakstan, Uzbekistan
- Quantum simulation and computing with Rydberg-interacting qubits
- Assessing Product Creativity in Computing Education: A Systematic Mapping Study
- A multiscale analysis of early flower development in Arabidopsis provides an integrated view of molecular regulation and growth control
- Green Computing: Analysis of Power and Energy Consumption of Personal Computers
- Hardware Accelerator Integration Tradeoffs for High-Performance Computing: A Case Study of GEMM Acceleration in N-Body Methods
- N-phenyl-6-chloro-4-hydroxy-2-quinolone-3-carboxamides: Molecular Docking, Synthesis, and Biological Investigation as Anticancer Agents
- Artificial intelligence accelerated by light
- DNA Origami Transformers
- Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein
- Today’s computing challenges: opportunities for computer hardware design
- Potential inhibitory effect of vitamins against COVID-19
- A neural network constitutive model for hyperelasticity based on molecular dynamics simulations
- Grafting of Fluorescence-Labeled ssDNA onto Inorganic Nanosheets and Detection of a Target DNA
- The effects of crop attributes, selection, and recombination on Canadian bread wheat molecular variation
- Does Richard Feynman Dream of Electric Sheep? Topics on Quantum Field Theory, Quantum Computing, and Computer Science
- Structure and Interactions in Perfluorooctanoate Micellar Solutions Revealed by Small-Angle Neutron Scattering and Molecular Dynamics Simulations Studies: Effect …
- Molecular dynamics simulation of the thermal properties of the Cu-water nanofluid on a roughed Platinum surface: Simulation of phase transition in nanofluids
- All-optical computing circuits half-subtractor and comparator based on soliton interactions
- SARS-CoV-2 Structural Analysis of Receptor Binding Domain New Variants from United Kingdom and South Africa
- Effect of surface coupling agents on the mechanical behaviour of polypropylene/silica composites: a molecular dynamics study
- Hepatic molecular signatures highlight the sexual dimorphism of nonalcoholic steatohepatitis (NASH)
- Recent Development of the Fragment Molecular Orbital Method in GAMESS
- Modelling photon statistics of cavity QED systems for integrated photonic quantum computing
- Models in quantum computing: a systematic review
- High-performance computing and its applications to atomic structure physics
- Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat
- Academic Paper Personalized Search Based on Interest Subject Tracking and Search Performance Evaluation
- Prediction of Drug-Disease Associations Based on Long Short-Term Memory Network and Gaussian Interaction Profile Kernel
- Discovery of a Bradykinin B2 Partial Agonist Profile of Raloxifene in a Drug Repurposing Campaign
- Valency-based topological properties of linear hexagonal chain and hammer-like benzenoid
- An efficient quantum algorithm for the time evolution of parameterized circuits
- DNA origami
- A Multi-Objective Workflow Allocation Strategyin IaaS Cloud Environment
- Complete Genome Sequence of the Plant-Growth-Promoting Bacterium Caulobacter segnis CBR1
- Translational computer science at the scientific computing and imaging institute
- Molecular Mechanism of the N501Y Mutation for Enhanced Binding between SARS-CoV-2’s Spike Protein and Human ACE2 Receptor
- A comparison of five SARS-CoV-2 molecular assays with clinical correlations
- Engineering the Quantum Scientific Computing Open User Testbed (QSCOUT): Design details and user guide
- A computational approach to design potential siRNA molecules as a prospective tool for silencing nucleocapsid phosphoprotein and surface glycoprotein …
- Multiscale simulation of molecular gas flows by the general synthetic iterative scheme
- Holmium (III) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect
- Immature HIV-1 assembles from Gag dimers leaving partial hexamers at lattice edges as potential substrates for proteolytic maturation
- Conductance Length Dependence in Carbon-Conjugated Nanoscale Systems. Use of Extended Quasi-correlated Orbitals
- Clinicogenomic analysis of FGFR2-rearranged cholangiocarcinoma identifies correlates of response and mechanisms of resistance to pemigatinib
- Test of Lepton-Flavor Universality in Decays at Belle
- Modelling the Molecular Permeation through Mixed-Matrix Membranes Incorporating Tubular Fillers
- Molecular adsorption of o-ethyltoluene and phenyl propane on square-octagon phosphorene nanosheet–A first-principles calculation
- Effects of B2O3 on the structure and properties of blast furnace slag by molecular dynamics simulation
- Targeted Sequencing of Mitochondrial Genes Reveals Signatures of Molecular Adaptation in a Nearly Panmictic Small Pelagic Fish Species
- Unraveling the optical contrast in Sb2Te and AgInSbTe phase-change materials
- Morphological and genetic characterization of the first Isospora species (I. lugensae n. sp.) from a Kerguelen petrel (Lugensa brevirostris)
- Molecular Characterization and Expression of Four Aquaporin Genes in Impatiens walleriana During Drought Stress and Recovery
- JOINT for large-scale single-cell RNA-sequencing analysis via soft-clustering and parallel computing
- Tripodal structured blue-green emissive fluorescent sensors for highly selective bifunctional detection: Their logic gate operations and real sample applications
- The Ecology of High-Performance Computing
- Fintech Frontiers in Quantum Computing, Fractals, and Blockchain Distributed Ledger: Paradigm Shifts and Open Innovation
- Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence
- A century of pollen foraging by the endangered rusty patched bumble bee (Bombus affinis): inferences from molecular sequencing of museum specimens
- Shear-thinning in Polymer Melts–Molecular Origins and Hybrid Multiscale Simulations
- Ab initio structure solution of proteins at atomic resolution using charge-flipping techniques and cloud computing
- Recent, small beginnings: Genetic analysis suggests Catostomus rimiculus (Klamath smallscale sucker) in the Smith River, California are introduced
- Internetwork connectivity of molecular networks across species of life
- Recognition of Bimolecular Logic Operation Pattern Based on a Solid-State Nanopore
- The Progress of High Performance Computing in China and the Development Trend of International High Performance Computing
- Evaluation of CO2-philicity and thickening capability of multichain poly(ether-carbonate) with assistance of molecular simulations
- Molecular encapsulation study of indole-3-methanol in cyclodextrins: Effect on antimicrobial activity and cytotoxicity
- Synthesis of molecular metallic barium superhydride: pseudocubic BaH 12
- Potential energy and atomic stability of H2O/CuO nanoparticles flow and heat transfer in non-ideal microchannel via molecular dynamic approach: the green–Kubo …
- Developing and Using a Data Commons for Understanding the Molecular Characteristics of Germ Cell Tumors
- Nanoscale chromatin imaging and analysis platform bridges 4D chromatin organization with molecular function
- Application of the Fragment Molecular Orbital Method to Organic Charge Transport Materials in Xerography: A Feasibility Study and a Charge Mobility Analysis
- Quantifying the contributions of energy storage in a thermoset shape memory polymer with high stress recovery: A molecular dynamics study
- Principles of low dissipation computing from a stochastic circuit model
- Molecular topological characterization of three classes of polycyclic aromatic hydrocarbons
- High throughput virtual screening of 230 billion molecular solar heat battery candidates
- Diarylalkanoids as Potent Tyrosinase Inhibitors from the Stems of Semecarpus caudata
- Mutation of framework residue H71 results in different antibody Paratope States in solution
- Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations
- Significant features for steganography techniques using deoxyribonucleic acid: A review
- Molecular phylogeny of the phytoparasitic mite family Phytoptidae (Acariformes: Eriophyoidea) identified the female genitalic anatomy as a major macroevolutionary …
- Structural and molecular basis of cross-seeding barriers in amyloids
- COVID-19 Knowledge Graph: a computable, multi-modal, cause-and-effect knowledge model of COVID-19 pathophysiology
- An Unbiased Molecular Approach Using 3′-UTRs Resolves the Avian Family-Level Tree of Life
- The complete chloroplast genome sequence of the Sechium edule (Jacq.) Swartz. (Cucurbitaceae)
- Resource allocation for intelligent reflecting surface aided wireless powered mobile edge computing in OFDM systems
- Molecular Data Visualization on Mobile Devices: A Quick Starter’s Guide
- Simulating quantum materials with digital quantum computers
- Custom Flow in Molecular Dynamics
- Virus as Quasi-Living Bio-Material for Interaction Design: Practical, Ethical, and Philosophical Implications
- Low-cost automatic fish measuring estimation
- Computing interface with quasiperiodicity
- UV-B induced molecular mechanisms of stress physiology responses in the major Northern Chinese conifer Pinus tabuliformis Carr.
- Rendezvous algorithms for large-scale modeling and simulation
- Complete mitochondrial genome of a Korean endemic freshwater mussel Nodularia breviconcha (Bivalvia: Unionidae)
- Effects of pre-strain on the nanoindentation behaviors of metallic glass studied by molecular dynamics simulations
- Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: optimizing the coherent phase
- … doxorubicin encapsulation and in-situ microfluidic micellization of bio-targeted polymeric nanohybrids using dichalcogenide monolayers: A molecular in-silico study
- Modular gene analysis reveals distinct molecular signatures for cutaneous lupus patient subsets
- Thermal modulation of epicardial Ca2+ dynamics uncovers molecular mechanisms of Ca2+ alternans
- Voice-controlled quantum chemistry
- Assessment of the proposed pseudo-potential theoretical model for the static and dynamic Raman scattering intensities: Multivariate statistical approach to quantum …
- Exposure of Agrobacterium tumefaciens to agroinfiltration medium demonstrates cellular remodelling and may promote enhanced adaptability for molecular …
- Inside the World of Computing: Technologies, Uses, Challenges
- Group decision-making framework under linguistic q-rung orthopair fuzzy Einstein models
- A genetic element in the SARS-CoV-2 genome is shared with multiple insect species
- Molecular monitoring of the poplar wood chip microbiome as a function of storage strategy
- Degree-based entropy of molecular structure of hyaluronic acid–curcumin conjugates
- Molecular designing of high-performance 3D star-shaped electron acceptors containing a truxene core for nonfullerene organic solar cells
- Numerical Computing Paradigm for Investigation of Micropolar Nanofluid Flow Between Parallel Plates System with Impact of Electrical MHD and Hall Current
- Quantum Computing and Programming
- Controlled Perturbation
- Image-based consensus molecular subtype (imCMS) classification of colorectal cancer using deep learning
- Molecular dynamics simulations of spontaneous and seeded nucleation and theoretical calculations for zinc selenide
- Ivermectin as a potential drug for treatment of COVID-19: an in-sync review with clinical and computational attributes
- Predicting regulatory variants using a dense epigenomic mapped CNN model elucidated the molecular basis of trait-tissue associations
- DNA barcoding-based assessment of the invasive and native non-crustose Codium species in the central Cantabrian Sea, southern Bay of Biscay
- C18O, 13CO, and 12CO abundances and excitation temperatures in the Orion B molecular cloud-Analysis of the achievable precision in modeling spectral …
- Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems
- MarkerDB: an online database of molecular biomarkers
- Epidemiological and clinical aspects of Trichophyton mentagrophytes/Trichophyton interdigitale infections in the Zurich area: a retrospective study using genotyping
- Learning vector quantization as an interpretable classifier for the detection of SARS-CoV-2 types based on their RNA sequences
- Molecular structure of a prevalent amyloid-ß fibril polymorph from Alzheimer’s disease brain tissue
- Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells
- Deep reinforcement learning based dynamic trajectory control for UAV-assisted mobile edge computing
- Synthesis and Characterization for new nanometer Cu (II) complexes, conformational study and molecular docking approach compatible with promising in vitro …
- Diffusion of Au on the reconstructed Au (111) surface
- Sudhir Kumar
Molecular photodissociation enabled by ultrafast plasmon decay