Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?
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Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningRational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approachPredictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsLow-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case studyCSM-lig: a web server for assessing and comparing protein-small molecule affinities.Correcting the impact of docking pose generation error on binding affinity prediction.Drug repurposing for aging research using model organisms.Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes.Performance of machine-learning scoring functions in structure-based virtual screening.Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.Future De Novo Drug Design.Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015.Prediction of kinase-inhibitor binding affinity using energetic parametersA comparative study of family-specific protein-ligand complex affinity prediction based on random forest approach.Virtual screening approach to identifying influenza virus neuraminidase inhibitors using molecular docking combined with machine-learning-based scoring function.Protein-ligand docking using FFT based sampling: D3R case study.Redesign of LAOBP to bind novel L-amino acid ligands.Optimizing the affinity and specificity of ligand binding with the inclusion of solvation effect.
P2860
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P2860
Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?
description
2014 nî lūn-bûn
@nan
2014年の論文
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2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
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2014年论文
@zh-cn
name
Does a more precise chemical d ...... rediction of binding affinity?
@en
type
label
Does a more precise chemical d ...... rediction of binding affinity?
@en
prefLabel
Does a more precise chemical d ...... rediction of binding affinity?
@en
P2860
P356
P1476
Does a more precise chemical d ...... rediction of binding affinity?
@en
P2093
Adrian Schreyer
Pedro J Ballester
P2860
P304
P356
10.1021/CI500091R
P50
P577
2014-02-20T00:00:00Z