Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes
about
Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agentSWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discoveryCombining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacologyDrug design for ever, from hype to hopeDesign of glycopeptides used to investigate class II MHC binding and T-cell responses associated with autoimmune arthritisComputational methods in drug discovery.Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Scoring functions and enrichment: a case study on Hsp90.Improving predicted protein loop structure ranking using a Pareto-optimality consensus method.Identification of selective inhibitors of the potassium channel Kv1.1-1.2((3)) by high-throughput virtual screening and automated patch clamp.Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identificationFormal Estimation of Errors in Computed Absolute Interaction Energies of Protein-ligand ComplexesA method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening.CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions.Automated site preparation in physics-based rescoring of receptor ligand complexesComputational evaluation of protein-small molecule binding.Prediction of N-Methyl-D-Aspartate Receptor GluN1-Ligand Binding Affinity by a Novel SVM-Pose/SVM-Score Combinatorial Ensemble Docking SchemeStructural ensemble in computational drug screening.Informatics, machine learning and computational medicinal chemistry.Allosteric inhibition of the hepatitis C virus NS5B polymerase: in silico strategies for drug discovery and development.Receptor-ligand molecular docking.Limits of Free Energy Computation for Protein-Ligand Interactions.Genistein and daidzein, typical soy isoflavones, inhibit TNF-α-mediated downregulation of adiponectin expression via different mechanisms in 3T3-L1 adipocytes.Improving molecular docking through eHiTS' tunable scoring function.Drug-like leads for steric discrimination between substrate and inhibitors of human acetylcholinesterase.Improving Docking Performance Using Negative Image-Based Rescoring.POSE SCALING: GEOMETRICAL ASSESSMENT OF LIGAND BINDING POSES
P2860
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P2860
Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes
description
2006 nî lūn-bûn
@nan
2006 թուականին հրատարակուած գիտական յօդուած
@hyw
2006 թվականին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Comparison of consensus scorin ...... ls of protein-ligand complexes
@ast
Comparison of consensus scorin ...... ls of protein-ligand complexes
@en
Comparison of consensus scorin ...... ls of protein-ligand complexes
@nl
type
label
Comparison of consensus scorin ...... ls of protein-ligand complexes
@ast
Comparison of consensus scorin ...... ls of protein-ligand complexes
@en
Comparison of consensus scorin ...... ls of protein-ligand complexes
@nl
prefLabel
Comparison of consensus scorin ...... ls of protein-ligand complexes
@ast
Comparison of consensus scorin ...... ls of protein-ligand complexes
@en
Comparison of consensus scorin ...... ls of protein-ligand complexes
@nl
P2093
P356
P1476
Comparison of consensus scorin ...... ls of protein-ligand complexes
@en
P2093
Akifumi Oda
Keiichi Tsuchida
Noriyuki Yamaotsu
Shuichi Hirono
Tadakazu Takakura
P304
P356
10.1021/CI050283K
P407
P577
2006-01-01T00:00:00Z