NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes.
about
Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningStructure-based virtual screening for drug discovery: a problem-centric reviewComparing neural-network scoring functions and the state of the art: applications to common library screeningA machine learning-based method to improve docking scoring functions and its application to drug repurposingAutoClickChem: click chemistry in silicoPDB-wide collection of binding data: current status of the PDBbind database.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.BINANA: a novel algorithm for ligand-binding characterizationPrediction of ligand binding using an approach designed to accommodate diversity in protein-ligand interactionsHBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysisNNScore 2.0: a neural-network receptor-ligand scoring functionMachine-learning techniques applied to antibacterial drug discoveryBgN-Score and BsN-Score: bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes.LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometryVirtual interactomics of proteins from biochemical standpoint.Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.Farnesyl diphosphate synthase inhibitors from in silico screening.AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design.Learning the Relationship between the Primary Structure of HIV Envelope Glycoproteins and Neutralization Activity of Particular Antibodies by Using Artificial Neural Networks.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?Use of machine learning approaches for novel drug discovery.Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes.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.Interfering with the high-affinity interaction between wheat amylase trypsin inhibitor CM3 and toll-like receptor 4: in silico and biosensor-based studies.One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery.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.Plasticizers used in food-contact materials affect adipogenesis in 3T3-L1 cells.Insight into human protease activated receptor-1 as anticancer target by molecular modelling.Biomolecular proteomics discloses ATP synthase as the main target of the natural glycoside deglucoruscin.
P2860
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P2860
NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes.
description
2010 nî lūn-bûn
@nan
2010 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@ast
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@en
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@nl
type
label
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@ast
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@en
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@nl
prefLabel
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@ast
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@en
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@nl
P2860
P356
P1476
NNScore: a neural-network-base ...... n of protein-ligand complexes.
@en
P2093
Jacob D Durrant
P2860
P304
P356
10.1021/CI100244V
P577
2010-10-01T00:00:00Z