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Structure-Based Virtual Screening with Supervised Consensus Scoring: Evaluation of Pose Prediction and Enrichment Factors
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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/(sici)1097-0134(19991001)37:1<88::aid-prot9>3.0.co;2-oopenalex-snapshot
Exhaustive docking of molecular fragments with electrostatic solvation
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/10.1002/1096-987x(200103)22:4<418::aid-jcc1012>3.0.co;2-3openalex-snapshot
Effect of ligand volume correction on PMF scoring
inferredcites →https://doi.org/10.1002/jcc.20141openalex-snapshot
Evaluation of library ranking efficacy in virtual screening
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.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
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/s1093-3263(01)00125-5openalex-snapshot
Consensus scoring for ligand/protein interactions
inferredcites →https://doi.org/10.1016/s1359-6446(02)02483-2openalex-snapshot
Structure-based virtual screening: an overview
inferredcites →https://doi.org/10.1016/s1367-5931(02)00339-3openalex-snapshot
Lead discovery using molecular docking
inferredcites →https://doi.org/10.1021/ci049970mopenalex-snapshot
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations
inferredcites →https://doi.org/10.1021/ci6004993openalex-snapshot
Supervised Consensus Scoring for Docking and Virtual Screening
inferredcites →https://doi.org/10.1021/ja960751uopenalex-snapshot
SMoG: de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 1. Methodology and Supporting Evidence
inferredcites →https://doi.org/10.1021/ja984102popenalex-snapshot
Inclusion of Solvation in Ligand Binding Free Energy Calculations Using the Generalized-Born Model
inferredcites →https://doi.org/10.1021/jm001044lopenalex-snapshot
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
inferredcites →https://doi.org/10.1021/jm010548wopenalex-snapshot
Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
inferredcites →https://doi.org/10.1021/jm0203783openalex-snapshot
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
inferredcites →https://doi.org/10.1021/jm0302997openalex-snapshot
Evaluation of Docking Performance: Comparative Data on Docking Algorithms
inferredcites →https://doi.org/10.1021/jm030896topenalex-snapshot
Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
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: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:1008729005958openalex-snapshot
A knowledge-based scoring function for protein-ligand interactions: Probing the reference state
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1073/pnas.181147798openalex-snapshot
Protein docking along smooth association pathways
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118092804.ch6openalex-snapshot
Molecular Modeling in Nucleic Acid‐Targeted Drug Design
inferred← citeshttps://doi.org/10.1002/chin.200829205openalex-snapshot
ChemInform Abstract: Structure‐Based Virtual Screening with Supervised Consensus Scoring: Evaluation of Pose Prediction and Enrichment Factors.
inferred← citeshttps://doi.org/10.1002/jcc.21642openalex-snapshot
VoteDock: Consensus docking method for prediction of protein–ligand interactions
inferred← citeshttps://doi.org/10.1007/978-1-4419-1327-2_14openalex-snapshot
In silico Discovery of Chemotherapeutic Agents
inferred← citeshttps://doi.org/10.1007/s10822-011-9539-5openalex-snapshot
Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.12.002openalex-snapshot
PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions
inferred← citeshttps://doi.org/10.1021/ci2002507openalex-snapshot
Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci200269qopenalex-snapshot
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions
inferred← citeshttps://doi.org/10.1021/jm800562dopenalex-snapshot
Target Flexibility: An Emerging Consideration in Drug Discovery and Design
inferred← citeshttps://doi.org/10.1055/s-0034-1396314openalex-snapshot
How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing
inferred← citeshttps://doi.org/10.1080/14756366.2016.1193736openalex-snapshot
Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies
inferred← citeshttps://doi.org/10.1093/bib/bbag081openalex-snapshot
Structure-informed machine learning for drug discovery: a task-centric perspective
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