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Similarity Based Docking
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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/(sici)1096-987x(19980115)19:1<21::aid-jcc2>3.0.co;2-0openalex-snapshot
Docking small ligands in flexible binding sites
inferredcites →https://doi.org/10.1002/(sici)1097-0134(19991101)37:2<228::aid-prot8>3.0.co;2-8openalex-snapshot
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
inferredcites →https://doi.org/10.1002/prot.10204openalex-snapshot
Prediction of an HMG‐box fold in the C‐terminal domain of histone H1: Insights into its role in DNA condensation
inferredcites →https://doi.org/10.1002/prot.10232openalex-snapshot
A new test set for validating predictions of protein–ligand interaction
inferredcites →https://doi.org/10.1002/prot.20149openalex-snapshot
Comparative evaluation of eight docking tools for docking and virtual screening accuracy
inferredcites →https://doi.org/10.1006/jmbi.1994.1543openalex-snapshot
Structural Analysis of Antibody Specificity
inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1007/bf00124324openalex-snapshot
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
inferredcites →https://doi.org/10.1016/s0022-2836(95)80037-9openalex-snapshot
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
inferredcites →https://doi.org/10.1021/ci600342eopenalex-snapshot
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
inferredcites →https://doi.org/10.1021/ci600387ropenalex-snapshot
Graph-Based Molecular Alignment (GMA)
inferredcites →https://doi.org/10.1021/ci7001236openalex-snapshot
GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/jm0002634openalex-snapshot
Flexible Alignment of Small Molecules
inferredcites →https://doi.org/10.1021/jm981037lopenalex-snapshot
F lex S: A Method for Fast Flexible Ligand Superposition
inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
inferredcites →https://doi.org/10.1023/a:1016399411208openalex-snapshot
Flexible docking under pharmacophore type constraints
inferredcites →https://doi.org/10.1023/a:1024503712135openalex-snapshot
Fast 3D molecular superposition and similarity search in databases of flexible molecules
inferredcites →https://doi.org/10.1093/comjnl/45.6.631openalex-snapshot
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
inferredcites →https://doi.org/10.1107/s0567739476001873openalex-snapshot
A solution for the best rotation to relate two sets of vectors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/med.21995openalex-snapshot
Advances in machine intelligence‐driven virtual screening approaches for big‐data
inferred← citeshttps://doi.org/10.1002/wcms.1581openalex-snapshot
Application advances of deep learning methods for de novo drug design and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1007/978-3-030-18375-2_12openalex-snapshot
Combinatorial Designing of Novel Lead Molecules Towards the Putative Drug Targets of Extreme Drug-Resistant Mycobacterium tuberculosis: A Future Insight for Molecular Medicine
inferred← citeshttps://doi.org/10.1007/978-981-99-2423-3_6openalex-snapshot
Drug Design Methods to Regulate Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1007/s10462-024-10948-3openalex-snapshot
Neuromorphic computing for modeling neurological and psychiatric disorders: implications for drug development
inferred← citeshttps://doi.org/10.1007/s10969-016-9208-yopenalex-snapshot
HOMCOS: an updated server to search and model complex 3D structures
inferred← citeshttps://doi.org/10.1016/b978-0-12-800168-4.00010-xopenalex-snapshot
Computational Approaches and Resources in Single Amino Acid Substitutions Analysis Toward Clinical Research
inferred← citeshttps://doi.org/10.1016/b978-0-323-89925-3.00002-2openalex-snapshot
General considerations on artificial intelligence
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.11.054openalex-snapshot
Synthesis and antibacterial activities of novel pleuromutilin derivatives with a substituted pyrimidine moiety
inferred← citeshttps://doi.org/10.1016/j.phrs.2017.11.010openalex-snapshot
Antibacterial activity and pharmacokinetic profile of a promising antibacterial agent: 14- O -[(4-Amino-6-hydroxy-pyrimidine-2-yl)thioacetyl] mutilin
inferred← citeshttps://doi.org/10.1016/j.vetpar.2020.109247openalex-snapshot
The active compounds and AChE inhibitor of the methanol extract of Adonis coerulea maxim against Psoroptes cuniculi
inferred← citeshttps://doi.org/10.1016/j.vetpar.2020.109267openalex-snapshot
The acaricidal mechanism and active compounds against Psoroptes cuniculi of the methanol extract of Adonis coerulea Maxim II: Integrated proteomics and SPR analysis
inferred← citeshttps://doi.org/10.1021/acsomega.4c05433openalex-snapshot
Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction Fingerprint
inferred← citeshttps://doi.org/10.1021/ci100235nopenalex-snapshot
Comprehensive Structural and Functional Characterization of the Human Kinome by Protein Structure Modeling and Ligand Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci500006dopenalex-snapshot
3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity
inferred← citeshttps://doi.org/10.1021/ci800216fopenalex-snapshot
Predicting the Accuracy of Ligand Overlay Methods with Random Forest Models
inferred← citeshttps://doi.org/10.1021/jm500374copenalex-snapshot
Synthesis and Biological Activities of Novel Pleuromutilin Derivatives with a Substituted Thiadiazole Moiety as Potent Drug-Resistant Bacteria Inhibitors
inferred← citeshttps://doi.org/10.1021/jm801306gopenalex-snapshot
Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors
inferred← citeshttps://doi.org/10.1038/s41401-019-0228-6openalex-snapshot
CB-Dock: a web server for cavity detection-guided protein–ligand blind docking
inferred← citeshttps://doi.org/10.1093/bib/bby061openalex-snapshot
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
inferred← citeshttps://doi.org/10.1248/bpb.b23-00600openalex-snapshot
Structural Perspective of NR4A Nuclear Receptor Family and Their Potential Endogenous Ligands
inferred← citeshttps://doi.org/10.1371/journal.pone.0082595openalex-snapshot
Chemical Synthesis and Biological Activities of Novel Pleuromutilin Derivatives with Substituted Amino Moiety
inferred← citeshttps://doi.org/10.2174/0113816128259795231023193419openalex-snapshot
Computational Approaches to Designing Antiviral Drugs against COVID-19: A Comprehensive Review
inferred← citeshttps://doi.org/10.22215/etd/2011-06738openalex-snapshot
On the energy minimization of large molecules
inferred← citeshttps://doi.org/10.3390/molecules191119050openalex-snapshot
Synthesis and Biological Evaluation of New Pleuromutilin Derivatives as Antibacterial Agents
inferred← citeshttps://doi.org/10.3390/molecules22060996openalex-snapshot
Synthesis and Biological Activity Evaluation of Novel Heterocyclic Pleuromutilin Derivatives
inferred← citeshttps://doi.org/10.3390/molecules25204723openalex-snapshot
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
inferred← citeshttps://doi.org/10.35652/igjps.2022.12006openalex-snapshot
A Review on Computational Software Tools for Drug Design and Discovery
inferred← citeshttps://doi.org/10.55475/jcgtm/vol1.iss3.2022.53openalex-snapshot
SIANUR KISLOTANING MOCHEVINA ALMASHINGAN HOSILALARINING ONLINE MOLEKULYAR DOKINGI VA PASS ANALIZI
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