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Machine intelligence design of 2019-nCoV drugs
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.21334openalex-snapshot
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Coronaviruses: An Overview of Their Replication and Pathogenesis
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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
inferredcites →https://doi.org/10.1007/s10822-019-00237-5openalex-snapshot
MathDL: mathematical deep learning for D3R Grand Challenge 4
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Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission
inferredcites →https://doi.org/10.1016/j.bbrc.2007.05.092openalex-snapshot
Cleavage of spike protein of SARS coronavirus by protease factor Xa is associated with viral infectivity
inferredcites →https://doi.org/10.1016/j.ddtec.2004.11.007openalex-snapshot
Lead- and drug-like compounds: the rule-of-five revolution
inferredcites →https://doi.org/10.1016/j.drudis.2006.03.004openalex-snapshot
Biological assay challenges from compound solubility: strategies for bioassay optimization
inferredcites →https://doi.org/10.1016/j.ijid.2020.01.009openalex-snapshot
The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health — The latest 2019 novel coronavirus outbreak in Wuhan, China
inferredcites →https://doi.org/10.1016/j.jhin.2020.01.010openalex-snapshot
Preparedness and proactive infection control measures against the emerging novel coronavirus in China
inferredcites →https://doi.org/10.1016/j.jiph.2019.11.007openalex-snapshot
Genetic diversity of MERS-CoV spike protein gene in Saudi Arabia
inferredcites →https://doi.org/10.1016/j.virol.2017.03.019openalex-snapshot
Extensive diversity of coronaviruses in bats from China
inferredcites →https://doi.org/10.1016/s0960-894x(00)00172-4openalex-snapshot
Prediction of drug solubility from Monte Carlo simulations
inferredcites →https://doi.org/10.1021/acs.jmedchem.5b01461openalex-snapshot
An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci970100xopenalex-snapshot
Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling
inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1038/s41564-020-0688-yopenalex-snapshot
Functional assessment of cell entry and receptor usage for SARS-CoV-2 and other lineage B betacoronaviruses
inferredcites →https://doi.org/10.1039/c8sc04175jopenalex-snapshot
Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations
inferredcites →https://doi.org/10.1039/c9cp06554gopenalex-snapshot
A review of mathematical representations of biomolecular data
inferredcites →https://doi.org/10.1093/bioinformatics/btu626openalex-snapshot
PDB-wide collection of binding data: current status of the PDBbind database
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1146/annurev-virology-110615-042301openalex-snapshot
Structure, Function, and Evolution of Coronavirus Spike Proteins
inferredcites →https://doi.org/10.1186/1758-2946-1-8openalex-snapshot
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
inferredcites →https://doi.org/10.12688/f1000research.22357.1openalex-snapshot
Genomic and protein structure modelling analysis depicts the origin and pathogenicity of 2019-nCoV, a new coronavirus which caused a pneumonia outbreak in Wuhan, China
inferredcites →https://doi.org/10.12921/cmst.2012.18.02.81-88openalex-snapshot
The log P Parameter as a Molecular Descriptor in the Computer-aided Drug Design – an Overview
inferredcites →https://doi.org/10.2139/ssrn.3525558openalex-snapshot
Estimation of the Transmission Risk of 2019-nCov and Its Implication for Public Health Interventions (2019-nCov的传播风险估计及其对公共卫生干预的意义)
inferredcites →https://doi.org/10.3201/eid1907.121094openalex-snapshot
Mutation in Spike Protein Cleavage Site and Pathogenesis of Feline Coronavirus
inferredcites →https://doi.org/10.3390/jcm9020462openalex-snapshot
Estimation of the Transmission Risk of the 2019-nCoV and Its Implication for Public Health Interventions
inferredcites →https://doi.org/10.3390/v12020135openalex-snapshot
Return of the Coronavirus: 2019-nCoV
inferredcites →https://doi.org/10.3390/v5102601openalex-snapshot
Detection and Molecular Diversity of Spike Gene of Porcine Epidemic Diarrhea Virus in China
inferredcites →https://doi.org/10.4310/cis.2019.v19.n3.a2openalex-snapshot
Generative network complex (GNC) for drug discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Generative Artificial Intelligence for Virology
inferred← citeshttps://doi.org/10.1007/s10822-018-0146-6openalex-snapshot
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
inferred← citeshttps://doi.org/10.1007/s12250-020-00297-0openalex-snapshot
COVID-19: Antiviral Agents, Antibody Development and Traditional Chinese Medicine
inferred← citeshttps://doi.org/10.1007/s40747-021-00424-8openalex-snapshot
A systematic review on AI/ML approaches against COVID-19 outbreak
inferred← citeshttps://doi.org/10.1007/s43440-022-00425-5openalex-snapshot
Recent review of COVID-19 management: diagnosis, treatment and vaccination
inferred← citeshttps://doi.org/10.1016/j.csbj.2022.09.002openalex-snapshot
Deep learning-based molecular dynamics simulation for structure-based drug design against SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.immuni.2020.05.002openalex-snapshot
Immunology of COVID-19: Current State of the Science
inferred← citeshttps://doi.org/10.1016/j.jddst.2023.104567openalex-snapshot
Nano-based techniques: A revolutionary approach to prevent covid-19 and enhancing human awareness
inferred← citeshttps://doi.org/10.1016/j.jiph.2022.01.011openalex-snapshot
Covid-19 and Artificial Intelligence: Genome sequencing, drug development and vaccine discovery
inferred← citeshttps://doi.org/10.1016/j.jmgm.2021.108045openalex-snapshot
Predicting novel drug candidates against Covid-19 using generative deep neural networks
inferred← citeshttps://doi.org/10.1016/j.ygeno.2020.04.016openalex-snapshot
Genotyping coronavirus SARS-CoV-2: methods and implications
inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00965openalex-snapshot
Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c00409openalex-snapshot
Perspectives on SARS-CoV-2 Main Protease Inhibitors
inferred← citeshttps://doi.org/10.1038/s43588-020-00007-6openalex-snapshot
Lessons from the COVID-19 pandemic for advancing computational drug repurposing strategies
inferred← citeshttps://doi.org/10.1039/d2cc01772eopenalex-snapshot
Metal-based strategies for the fight against COVID-19
inferred← citeshttps://doi.org/10.1080/14756366.2021.1873977openalex-snapshot
Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro
inferred← citeshttps://doi.org/10.1109/access.2020.3024238openalex-snapshot
DeepH-DTA: Deep Learning for Predicting Drug-Target Interactions: A Case Study of COVID-19 Drug Repurposing
inferred← citeshttps://doi.org/10.1109/access.2021.3093633openalex-snapshot
Blockchain and AI-Based Solutions to Combat Coronavirus (COVID-19)-Like Epidemics: A Survey
inferred← citeshttps://doi.org/10.1109/access.2021.3094400openalex-snapshot
The Recent Technologies to Curb the Second-Wave of COVID-19 Pandemic
inferred← citeshttps://doi.org/10.1155/2020/4932572openalex-snapshot
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CL pro of SARS‐CoV‐2 by Molecular Modeling
inferred← citeshttps://doi.org/10.1177/11786361211002481openalex-snapshot
Corona Viruses: A Review on SARS, MERS and COVID-19
inferred← citeshttps://doi.org/10.12688/f1000research.22457.1openalex-snapshot
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CLpro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates [version 1; peer review: 2 approved]
inferred← citeshttps://doi.org/10.12688/f1000research.22457.2openalex-snapshot
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CLpro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates
inferred← citeshttps://doi.org/10.15406/ghoa.2021.12.00461openalex-snapshot
SARS-CoV-2: respiratory and gastrointestinal pathobiology of the corona virus illness, Covid-19
inferred← citeshttps://doi.org/10.21203/rs.3.rs-40014/v1openalex-snapshot
High-throughput Screening and Experimental Identification of Potent Drugs Targeting SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.21203/rs.3.rs-569883/v1openalex-snapshot
Distinct Infection Forms of SARS-CoV-2 Among People Living With HIV
inferred← citeshttps://doi.org/10.2174/1573409916999200316102548openalex-snapshot
A Generic Computer-Assisted Four-Pronged Approach for the Management of Emerging Global Pathogens: Some Comments on COVID-19
inferred← citeshttps://doi.org/10.2196/20756openalex-snapshot
Artificial Intelligence in the Fight Against COVID-19: Scoping Review
inferred← citeshttps://doi.org/10.2196/23811openalex-snapshot
Role of Machine Learning Techniques to Tackle the COVID-19 Crisis: Systematic Review
inferred← citeshttps://doi.org/10.26434/chemrxiv.11831103openalex-snapshot
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like Protease (3CLpro) Structure: Virtual Screening Reveals Velpatasvir, Ledipasvir, and Other Drug Repurposing Candidates
inferred← citeshttps://doi.org/10.26434/chemrxiv.11923239openalex-snapshot
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds
inferred← citeshttps://doi.org/10.26434/chemrxiv.11923239.v1openalex-snapshot
Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 687 Million Compounds
inferred← citeshttps://doi.org/10.26434/chemrxiv.12170337openalex-snapshot
A Generative Deep Learning Approach for the Discovery of SARS CoV2 Protease Inhibitors
inferred← citeshttps://doi.org/10.26434/chemrxiv.12170337.v1openalex-snapshot
A Generative Deep Learning Approach for the Discovery of SARS CoV2 Protease Inhibitors
inferred← citeshttps://doi.org/10.26434/chemrxiv.12179202openalex-snapshot
Identification of Potent Inhibitors of COVID-19 Main Protease Enzyme by Molecular Docking Study
inferred← citeshttps://doi.org/10.26434/chemrxiv.12179202.v1openalex-snapshot
Identification of Potent Inhibitors of COVID-19 Main Protease Enzyme by Molecular Docking Study
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Una aproximación estadística al comportamiento de brote de COVID-19 en la China continental
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Optimization of Drug Design Composition by Hybrid Islamic and Evolutionary Medicine for Covid-19 and Its New Variants Using Geometric Time Variants Extreme Genetic Algorithm
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An Application Review of Artificial Intelligence in Prevention and Cure of COVID-19 Pandemic
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Risk of SARS-CoV-2 Infection Among People Living With HIV in Wuhan, China
inferred← citeshttps://doi.org/10.3390/diagnostics11071155openalex-snapshot
Comprehensive Survey of Using Machine Learning in the COVID-19 Pandemic
inferred← citeshttps://doi.org/10.3390/diagnostics13121995openalex-snapshot
Exploring the Intersection of Artificial Intelligence and Clinical Healthcare: A Multidisciplinary Review
inferred← citeshttps://doi.org/10.3390/ijms21103626openalex-snapshot
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds
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Revolutionizing Vaccine Development for COVID-19: A Review of AI-Based Approaches
inferred← citeshttps://doi.org/10.3390/vaccines8040591openalex-snapshot
Evolutionary Analysis of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Reveals Genomic Divergence with Implications for Universal Vaccine Efficacy
inferred← citeshttps://doi.org/10.4081/itjm.2020.1291openalex-snapshot
Hypothetic immunopathological impacts of SARS-CoV-2 and HIV co-infection on COVID-19 severity
inferred← citeshttps://doi.org/10.4155/fdd-2020-0028openalex-snapshot
Artificial Intelligence in Drug Design: Algorithms, Applications, Challenges and Ethics
inferred← citeshttps://doi.org/10.4310/cis.2021.v21.n1.a6openalex-snapshot
Inverted repeats in coronavirus SARS-CoV-2 genome and implications in evolution
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One-shot screening of potential peptide ligands on HR1 domain in COVID-19 glycosylated spike (S) protein with deep siamese network
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What do T cells see in SARS-CoV2?
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