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Automated Large-Scale File Preparation, Docking, and Scoring: Evaluation of ITScore and STScore Using the 2012 Community Structure–Activity Resource Benchmark

https://doi.org/10.1021/ci400045v
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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(199908)20:11<1165::aid-jcc7>3.0.co;2-aopenalex-snapshot
BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential
inferredcites →https://doi.org/10.1002/jcc.20084openalex-snapshot
UCSF Chimera—A visualization system for exploratory research and analysis
inferredcites →https://doi.org/10.1002/jcc.20504openalex-snapshot
An iterative knowledge‐based scoring function to predict protein–ligand interactions: I. Derivation of interaction potentials
inferredcites →https://doi.org/10.1002/jcc.20505openalex-snapshot
An iterative knowledge‐based scoring function to predict protein–ligand interactions: II. Validation of the scoring function
inferredcites →https://doi.org/10.1002/jcc.540130412openalex-snapshot
Automated docking with grid‐based energy evaluation
inferredcites →https://doi.org/10.1002/prot.21214openalex-snapshot
Ensemble docking of multiple protein structures: Considering protein structural variations in molecular docking
inferredcites →https://doi.org/10.1006/jmbi.1996.0175openalex-snapshot
Statistical Potentials Extracted From Protein Structures: How Accurate Are They?
inferredcites →https://doi.org/10.1006/jmbi.1999.3371openalex-snapshot
Knowledge-based scoring function to predict protein-ligand interactions
inferredcites →https://doi.org/10.1016/0022-2836(82)90515-0openalex-snapshot
A simple method for displaying the hydropathic character of a protein
inferredcites →https://doi.org/10.1016/s1574-1400(10)06014-7openalex-snapshot
Mean-Force Scoring Functions for Protein–Ligand Binding
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci2000727openalex-snapshot
Scoring and Lessons Learned with the CSAR Benchmark Using an Improved Iterative Knowledge-Based Scoring Function
inferredcites →https://doi.org/10.1021/ci200080gopenalex-snapshot
Construction and Test of Ligand Decoy Sets Using MDock: Community Structure–Activity Resource Benchmarks for Binding Mode Prediction
inferredcites →https://doi.org/10.1021/ci200082topenalex-snapshot
CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes
inferredcites →https://doi.org/10.1021/ci200269qopenalex-snapshot
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions
inferredcites →https://doi.org/10.1021/jm049314dopenalex-snapshot
A Knowledge-Based Energy Function for Protein−Ligand, Protein−Protein, and Protein−DNA Complexes
inferredcites →https://doi.org/10.1021/jm050436vopenalex-snapshot
DrugScore CSD Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction
inferredcites →https://doi.org/10.1021/jm980536jopenalex-snapshot
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
inferredcites →https://doi.org/10.1023/a:1011115820450openalex-snapshot
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
inferredcites →https://doi.org/10.1039/c0cp00151aopenalex-snapshot
Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
inferredcites →https://doi.org/10.1093/bioinformatics/bti623openalex-snapshot
ROCR: visualizing classifier performance in R
inferredcites →https://doi.org/10.1110/ps.062501507openalex-snapshot
Efficient molecular docking of NMR structures: Application to HIV‐1 protease
inferredcites →https://doi.org/10.1146/annurev.biophys.32.110601.142532openalex-snapshot
Molecular Recognition and Docking Algorithms
inferredcites →https://doi.org/10.3390/ijms11083016openalex-snapshot
Advances and Challenges in Protein-Ligand Docking

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/bip.22744openalex-snapshot
Review structure‐ and dynamics‐based computational design of anticancer drugs
inferred← citeshttps://doi.org/10.1002/jmr.2471openalex-snapshot
Improvements, trends, and new ideas in molecular docking: 2012–2013 in review
inferred← citeshttps://doi.org/10.1007/7653_2015_62openalex-snapshot
MDock: An Ensemble Docking Suite for Molecular Docking, Scoring and In Silico Screening
inferred← citeshttps://doi.org/10.1007/978-1-4939-7756-7_12openalex-snapshot
Evaluation of Protein–Ligand Docking by Cyscore
inferred← citeshttps://doi.org/10.1007/s10822-019-00185-0openalex-snapshot
Predicting protein–ligand binding modes for CELPP and GC3: workflows and insight
inferred← citeshttps://doi.org/10.1007/s41048-017-0045-8openalex-snapshot
Docking-based inverse virtual screening: methods, applications, and challenges
inferred← citeshttps://doi.org/10.1016/bs.mie.2024.04.005openalex-snapshot
Mechanistic docking in terpene synthases using EnzyDock
inferred← citeshttps://doi.org/10.1016/j.drudis.2015.04.005openalex-snapshot
Successful generation of structural information for fragment-based drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00263openalex-snapshot
Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01223openalex-snapshot
Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00158openalex-snapshot
Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00504openalex-snapshot
Iterative Knowledge-Based Scoring Functions Derived from Rigid and Flexible Decoy Structures: Evaluation with the 2013 and 2014 CSAR Benchmarks
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c00201openalex-snapshot
Template-Based Docking Using Automated Maximum Common Substructure Identification with EnzyDock: Mechanistic and Inhibitor Docking
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00111openalex-snapshot
CHARMM-GUI Ligand Docker for Molecular Docking with Various Docking Programs
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01691openalex-snapshot
CHARMM-GUI EnzyDocker for Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00366openalex-snapshot
EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes
inferred← citeshttps://doi.org/10.1021/acsomega.2c07619openalex-snapshot
MetaDOCK: A Combinatorial Molecular Docking Approach
inferred← citeshttps://doi.org/10.1515/psr-2018-0113openalex-snapshot
Computer-based techniques for lead identification and optimization I: Basics
inferred← citeshttps://doi.org/10.2174/1568026614666140929124445openalex-snapshot
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
inferred← citeshttps://doi.org/10.22159/ijpps.2021v13i6.40830openalex-snapshot
MOLECULAR DOCKING: AN EXPLANATORY APPROACH IN STRUCTURE-BASED DRUG DESIGNING AND DISCOVERY
inferred← citeshttps://doi.org/10.3390/ijms26178146openalex-snapshot
Aptamers as Potential Inhibitors of Ethylene Biosynthesis: Identification and In Silico Selection
inferred← citeshttps://doi.org/10.3390/molecules190710150openalex-snapshot
Challenges, Applications, and Recent Advances of Protein-Ligand Docking in Structure-Based Drug Design
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