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A Multivariate Approach to Investigate Docking Parameters' Effects on Docking Performance

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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)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/(sici)1099-128x(199609)10:5/6<483::aid-cem446>3.0.co;2-gopenalex-snapshot
Multivariate QSAR modelling of the rate of reductive dehalogenation of haloalkanes
inferredcites →https://doi.org/10.1002/(sici)1099-128x(199609)10:5/6<521::aid-cem448>3.0.co;2-jopenalex-snapshot
Model validation by permutation tests: Applications to variable selection
inferredcites →https://doi.org/10.1002/bip.10207openalex-snapshot
Gaussian docking functions
inferredcites →https://doi.org/10.1002/cem.697openalex-snapshot
Multivariate methods in pharmaceutical applications
inferredcites →https://doi.org/10.1002/prot.10115openalex-snapshot
Principles of docking: An overview of search algorithms and a guide to scoring functions
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1002/prot.20088openalex-snapshot
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
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/10.1002/prot.20497openalex-snapshot
Comparing protein–ligand docking programs is difficult
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
inferredcites →https://doi.org/10.1006/jmbi.1999.3371openalex-snapshot
Knowledge-based scoring function to predict protein-ligand interactions
inferredcites →https://doi.org/10.1007/s00894-002-0112-yopenalex-snapshot
Binding site characteristics in structure-based virtual screening: evaluation of current docking tools
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1016/0169-7439(87)80084-9openalex-snapshot
Principal component analysis
inferredcites →https://doi.org/10.1016/0169-7439(92)80076-gopenalex-snapshot
A new algorithm for optimal, distance-based experimental design
inferredcites →https://doi.org/10.1016/0169-7439(94)00076-xopenalex-snapshot
D-optimal designs
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/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1093-3263(02)00204-8openalex-snapshot
Assessing the performance of OMEGA with respect to retrieving bioactive conformations
inferredcites →https://doi.org/10.1016/s1359-6446(04)03086-7openalex-snapshot
Application of statistical ‘design of experiments’ methods in drug discovery
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/ci00057a006openalex-snapshot
CHEMTEXT
inferredcites →https://doi.org/10.1021/ci050036gopenalex-snapshot
POEM: Parameter Optimization Using Ensemble Methods: Application to Target Specific Scoring Functions
inferredcites →https://doi.org/10.1021/ci050323kopenalex-snapshot
Hierarchical PLS Modeling for Predicting the Binding of a Comprehensive Set of Structurally Diverse Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/ci0503255openalex-snapshot
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors
inferredcites →https://doi.org/10.1021/ci9801825openalex-snapshot
Parameter Refinement for Molecular Docking
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot
Detailed Analysis of Scoring Functions for Virtual Screening
inferredcites →https://doi.org/10.1021/jm010833fopenalex-snapshot
Statistical Molecular Design, Parallel Synthesis, and Biological Evaluation of a Library of Thrombin Inhibitors
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/jm030580lopenalex-snapshot
The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
inferredcites →https://doi.org/10.1021/jm040818lopenalex-snapshot
Multivariate Design, Synthesis, and Biological Evaluation of Peptide Inhibitors of FimC/FimH Protein−Protein Interactions in UropathogenicEscherichia coli
inferredcites →https://doi.org/10.1021/jm048957qopenalex-snapshot
The PDBbind Database: Methodologies and Updates
inferredcites →https://doi.org/10.1021/jm049332vopenalex-snapshot
Optimization and Validation of a Docking-Scoring Protocol; Application to Virtual Screening for COX-2 Inhibitors
inferredcites →https://doi.org/10.1021/jm049798dopenalex-snapshot
Comparison of Automated Docking Programs as Virtual Screening Tools
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm050554iopenalex-snapshot
Protein Structures in Virtual Screening: A Case Study with CDK2
inferredcites →https://doi.org/10.1021/jm060999mopenalex-snapshot
Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps
inferredcites →https://doi.org/10.1023/a:1008158231558openalex-snapshot
Deciphering common failures in molecular docking of ligand-protein complexes
inferredcites →https://doi.org/10.1023/b:jcam.0000047812.39758.abopenalex-snapshot
Evaluation and application of multiple scoring functions for a virtual screening experiment
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1080/00031305.1983.10483087openalex-snapshot
A Leisurely Look at the Bootstrap, the Jackknife, and Cross-Validation
inferredcites →https://doi.org/10.1080/00401706.1994.10485399openalex-snapshot
A Simple Bayesian Modification of D -Optimal Designs to Reduce Dependence on an Assumed Model
inferredcites →https://doi.org/10.1080/01621459.1951.10500769openalex-snapshot
The Kolmogorov-Smirnov Test for Goodness of Fit
inferredcites →https://doi.org/10.1080/03639040500518823openalex-snapshot
Robustness Testing of a Tablet Formulation Using Multivariate Design
inferredcites →https://doi.org/10.1111/j.2517-6161.1974.tb00994.xopenalex-snapshot
Cross-Validatory Choice and Assessment of Statistical Predictions
inferredcites →https://doi.org/10.1126/science.1095833openalex-snapshot
Drug Delivery Systems: Entering the Mainstream
inferredcites →https://doi.org/10.1126/science.1096361openalex-snapshot
The Many Roles of Computation in Drug Discovery
inferredcites →https://doi.org/10.2174/1573409052952314openalex-snapshot
Recent Advances in Docking and Scoring
inferredcites →https://doi.org/10.2307/1267995openalex-snapshot
D-Optimality for Regression Designs: A Review
inferredcites →https://doi.org/10.2307/2530361openalex-snapshot
Statistics for Experimenters: An Introduction to Design, Data Analysis and Model Building.

What points at this work

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

inferred← citeshttps://doi.org/10.1002/cem.1367openalex-snapshot
Multivariate assessment of virtual screening experiments
inferred← citeshttps://doi.org/10.1002/jcc.21642openalex-snapshot
VoteDock: Consensus docking method for prediction of protein–ligand interactions
inferred← citeshttps://doi.org/10.1002/wcms.18openalex-snapshot
Outstanding challenges in protein–ligand docking and structure‐based virtual screening
inferred← citeshttps://doi.org/10.1007/s00894-023-05637-xopenalex-snapshot
Effect of preprocessing and simulation parameters on the performance of molecular docking studies
inferred← citeshttps://doi.org/10.1007/s10822-008-9168-9openalex-snapshot
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2016.04.005openalex-snapshot
Machine learning optimization of cross docking accuracy
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.03.013openalex-snapshot
Targeted scoring functions for virtual screening
inferred← citeshttps://doi.org/10.1021/ci100354xopenalex-snapshot
Postprocessing of Docked Protein−Ligand Complexes Using Implicit Solvation Models
inferred← citeshttps://doi.org/10.1021/ci200558eopenalex-snapshot
Building a Three-Dimensional Model of CYP2C9 Inhibition Using the Autocorrelator: An Autonomous Model Generator
inferred← citeshttps://doi.org/10.1021/ci400079kopenalex-snapshot
Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program
inferred← citeshttps://doi.org/10.1021/ci800154wopenalex-snapshot
Evaluation of Different Virtual Screening Programs for Docking in a Charged Binding Pocket
inferred← citeshttps://doi.org/10.1111/cbdd.13867openalex-snapshot
Identification of novel P2X7R antagonists by using structure‐based virtual screening and cell‐based assays
inferred← citeshttps://doi.org/10.1186/s13065-024-01159-6openalex-snapshot
Iso-mukaadial acetate and ursolic acid acetate bind to Plasmodium Falciparum heat shock protein 70: towards targeting parasite protein folding pathway
inferred← citeshttps://doi.org/10.1186/s13321-020-00464-1openalex-snapshot
Predicting target profiles with confidence as a service using docking scores
inferred← citeshttps://doi.org/10.2174/1570180820666221111151104openalex-snapshot
Role of Docking in Anticancer Drug Discovery
inferred← citeshttps://doi.org/10.3390/ijms19030896openalex-snapshot
Study of Imidazolium Salt Derivatives as PIK3CA Inhibitors Using a Comprehensive in Silico Method
inferred← citeshttps://doi.org/10.3390/molecules22061020openalex-snapshot
Determination of Structural Requirements of N-Substituted Tetrahydro-β-Carboline Imidazolium Salt Derivatives Using in Silico Approaches for Designing MEK-1 Inhibitors
inferred← citeshttps://doi.org/10.48550/arxiv.0907.1531openalex-snapshot
A new protein binding pocket similarity measure based on comparison of 3D atom clouds: application to ligand prediction
inferred← citeshttps://doi.org/10.6084/m9.figshare.13101273openalex-snapshot
Additional file 1 of Predicting target profiles with confidence as a service using docking scores
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