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Comparison of Consensus Scoring Strategies for Evaluating Computational Models of Protein−Ligand Complexes
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Knowledge-based scoring function to predict protein-ligand interactions
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A geometric approach to macromolecule-ligand interactions
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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
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Consensus scoring for ligand/protein interactions
inferredcites →https://doi.org/10.1021/ci010025xopenalex-snapshot
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot
Detailed Analysis of Scoring Functions for Virtual Screening
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/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
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:1008040323669openalex-snapshot
Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model
inferredcites →https://doi.org/10.1023/a:1016357811882openalex-snapshot
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1039/b409570gopenalex-snapshot
Predicting protein–ligand binding affinities: a low scoring game?
inferredcites →https://doi.org/10.1042/bst0310980openalex-snapshot
Molecular modelling probes: docking and scoring
inferredcites →https://doi.org/10.1074/jbc.m411076200openalex-snapshot
Use of Photoaffinity Labeling and Site-directed Mutagenesis for Identification of the Key Residue Responsible for Extraordinarily High Affinity Binding of UCN-01 in Human α1-Acid Glycoprotein
inferredcites →https://doi.org/10.1093/bioinformatics/15.3.243openalex-snapshot
Docking of hydrophobic ligands with interaction-based matching algorithms.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Docking and Scoring in Drug Discovery
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The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening
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Prospects of Modulating Protein–Protein Interactions
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inferred← citeshttps://doi.org/10.26479/2016.0201.05openalex-snapshot
Molecular Modeling and Docking Analysis of Pseudomonal Bacterial Proteins with Eugenol and Its Derivatives
inferred← citeshttps://doi.org/10.32657/10356/54822openalex-snapshot
Novel strategies for wound treatment
inferred← citeshttps://doi.org/10.3389/fphar.2018.00260openalex-snapshot
Improving Docking Performance Using Negative Image-Based Rescoring
inferred← citeshttps://doi.org/10.3390/app122211611openalex-snapshot
Probing New Antileukemia Agents That Target FLT3 and BCL-2 from Traditional Concoctions through a Combination of Mass Spectrometry Analysis and Consensus Docking Methods
inferred← citeshttps://doi.org/10.3390/ijms20184574openalex-snapshot
Key Topics in Molecular Docking for Drug Design
inferred← citeshttps://doi.org/10.3390/molecules25122871openalex-snapshot
Identification of Human Leukotriene A4 Hydrolase Inhibitors Using Structure-Based Pharmacophore Modeling and Molecular Docking
inferred← citeshttps://doi.org/10.3390/molecules28010175openalex-snapshot
Comprehensive Survey of Consensus Docking for High-Throughput Virtual Screening
inferred← citeshttps://doi.org/10.3762/bjoc.12.267openalex-snapshot
Computational methods in drug discovery
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch004openalex-snapshot
The Comparison of Docking Search Algorithms and Scoring Functions
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch009openalex-snapshot
Scoring Functions of Protein-Ligand Interactions
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch036openalex-snapshot
Scoring Functions of Protein-Ligand Interactions
inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch032openalex-snapshot
The Comparison of Docking Search Algorithms and Scoring Functions
inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch044openalex-snapshot
Rational Drug Design Rational Drug Design
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.13.106openalex-snapshot
Integrating structure-and ligand-based approaches for computer-aided drug design
inferred← citeshttps://doi.org/10.4155/fmc-2018-0525openalex-snapshot
Inhibiting Two Cellular Mutant Epidermal Growth Factor Receptor Tyrosine Kinases By Addressing Computationally Assessed Crystal Ligand Pockets
inferred← citeshttps://doi.org/10.4155/fmc.11.11openalex-snapshot
Informatics, Machine Learning and Computational Medicinal Chemistry
inferred← citeshttps://doi.org/10.4155/fmc.11.18openalex-snapshot
Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design
inferred← citeshttps://doi.org/10.4155/fmc.11.53openalex-snapshot
Allosteric Inhibition of the Hepatitis C Virus NS5B Polymerase: In Silico Strategies for Drug Discovery and Development
inferred← citeshttps://doi.org/10.4251/wjgo.v17.i7.107681openalex-snapshot
Advances and challenges in drug repurposing in precision therapeutics of colorectal cancer
inferred← citeshttps://doi.org/10.47749/t/unicamp.2015.946554openalex-snapshot
Novos inibidores de LMW-PTP e CDC25B
inferred← citeshttps://doi.org/10.53846/goediss-2927openalex-snapshot
Computer-aided drug design for membrane channel proteins.
inferred← citeshttps://doi.org/10.70675/1a4f06f0zdfa4z41efza87az70239c45c50copenalex-snapshot
Conception d'un logiciel pour la recherche de nouvelles molécules bioactives
inferred← citeshttps://doi.org/10.70675/73f1b29dz81dbz44c0z81c3z1d79fdbeb226openalex-snapshot
Docking et Deep Learning : affinement de méthodologies in silico pour le développementde stratégies thérapeutiques innovantes
inferred← citeshttps://doi.org/10.70675/9ec10756ze898z4558z9e97zba079af2b3b0openalex-snapshot
Innovative inhibition strategy against functional structural transitions of essential pathogenic factors : Computational applications to Malarial and Neurotransmitter targets
inferred← citeshttps://doi.org/10.70675/cf0c25aez2ac3z41a3z9ee8z98e153e97181openalex-snapshot
Conception rationnelle de nouveaux inhibiteurs de NDM-1 à visée antibiotique via une approche par fragments
inferred← citeshttps://doi.org/10.70675/f0567b86z4fdfz4cc8zb716z49ec4d7b8548openalex-snapshot
Développements HPC pour une nouvelle méthode de docking inverse : applications aux protéines matricielles.
inferred← citeshttps://doi.org/10.7566/jpscp.1.016005openalex-snapshot
Multi-Objective Optimizations for Selections of Protein-Ligand Docking Poses Using Pareto Optima as a Consensus Score
inferred← citeshttps://doi.org/10.9734/ejmp/2016/27847openalex-snapshot
Evaluation of Selected Natural Compounds for Cancer Stem Cells Targeted Anti-cancer Activity: A Molecular Docking Study
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