NNScore 2.0: a neural-network receptor-ligand scoring function
about
Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningAndrogens Exert a Cysticidal Effect upon Taenia crassiceps by Disrupting Flame Cell Morphology and FunctionOpen Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery fieldComparing neural-network scoring functions and the state of the art: applications to common library screeningPMS1077 sensitizes TNF-α induced apoptosis in human prostate cancer cells by blocking NF-κB signaling pathwayOpen source molecular modelingLow-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest.Using RosettaLigand for small molecule docking into comparative models.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Wedelolactone Acts as Proteasome Inhibitor in Breast Cancer CellsLigand-based virtual screening approach using a new scoring functionMachine-learning techniques applied to antibacterial drug discoveryLipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometrySubstituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case studyInhibition of bacterial mevalonate diphosphate decarboxylase by eriochrome compoundsDiscovery of Novel Haloalkane Dehalogenase Inhibitors.Combining molecular docking and molecular dynamics to predict the binding modes of flavonoid derivatives with the neuraminidase of the 2009 H1N1 influenza A virusVirtual interactomics of proteins from biochemical standpoint.Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design.Latest developments in molecular docking: 2010-2011 in review.Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?Review structure- and dynamics-based computational design of anticancer drugs.Use of machine learning approaches for novel drug discovery.Performance of machine-learning scoring functions in structure-based virtual screening.Protein-Ligand Scoring with Convolutional Neural Networks.Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.A D3R prospective evaluation of machine learning for protein-ligand scoring.Structural analysis of dihydrofolate reductases enables rationalization of antifolate binding affinities and suggests repurposing possibilities.Docking small peptides remains a great challenge: an assessment using AutoDock Vina.Scoria: a Python module for manipulating 3D molecular data.Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation.Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel.MoleculeNet: a benchmark for molecular machine learning.The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.
P2860
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P2860
NNScore 2.0: a neural-network receptor-ligand scoring function
description
2011 nî lūn-bûn
@nan
2011 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
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2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
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2011年论文
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name
NNScore 2.0: a neural-network receptor-ligand scoring function
@ast
NNScore 2.0: a neural-network receptor-ligand scoring function
@en
NNScore 2.0: a neural-network receptor-ligand scoring function
@nl
type
label
NNScore 2.0: a neural-network receptor-ligand scoring function
@ast
NNScore 2.0: a neural-network receptor-ligand scoring function
@en
NNScore 2.0: a neural-network receptor-ligand scoring function
@nl
prefLabel
NNScore 2.0: a neural-network receptor-ligand scoring function
@ast
NNScore 2.0: a neural-network receptor-ligand scoring function
@en
NNScore 2.0: a neural-network receptor-ligand scoring function
@nl
P2860
P356
P1476
NNScore 2.0: a neural-network receptor-ligand scoring function
@en
P2093
Jacob D Durrant
P2860
P304
P356
10.1021/CI2003889
P577
2011-11-03T00:00:00Z