Challenges and advances in computational docking: 2009 in review.
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Computational approaches in target identification and drug discoveryMolecular docking and structure-based drug design strategiesStructure-based virtual screening for drug discovery: a problem-centric reviewThe Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking InvestigationsTwo birds with one stone? Possible dual-targeting H1N1 inhibitors from traditional Chinese medicine2,2'-diphenyl-3,3'-diindolylmethane: a potent compound induces apoptosis in breast cancer cells by inhibiting EGFR pathwayLigand pose and orientational sampling in molecular dockingIdentification of Novel Aldose Reductase Inhibitors from Spices: A Molecular Docking and Simulation StudyBringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring"Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation.Quantum mechanical/molecular mechanical and docking study of the novel analogues based on hybridization of common pharmacophores as potential anti-breast cancer agentsPubChem3D: Diversity of shape.Predicting perfect drug candidates: Molecular docking 2.0.Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targets.From laptop to benchtop to bedside: structure-based drug design on protein targets.Antibody recognition of cancer-related gangliosides and their mimics investigated using in silico site mapping.High-Throughput parallel blind Virtual Screening using BINDSURF.Multipose binding in molecular docking.A molecular docking study of phytochemical estrogen mimics from dietary herbal supplementsA computational approach for exploring carbohydrate recognition by lectins in innate immunityBioinformatics and variability in drug response: a protein structural perspective.Variability in docking success rates due to dataset preparationAccelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potentialVSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.DOCLASP - Docking ligands to target proteins using spatial and electrostatic congruence extracted from a known holoenzyme and applying simple geometrical transformations.LIBSA--a method for the determination of ligand-binding preference to allosteric sites on receptor ensemblesFrom base pair to bedside: molecular simulation and the translation of genomics to personalized medicine.Latest developments in molecular docking: 2010-2011 in review.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.A cross docking pipeline for improving pose prediction and virtual screening performance.Molecular docking for drug discovery and development: a widely used approach but far from perfect.Medicinal Chemistry Strategies to Disrupt the p53-MDM2/MDMX Interaction.Computational Methods Applied to Rational Drug Design.The Performance of Several Docking Programs at Reproducing Protein-Macrolide-Like Crystal Structures.Interactions of antiparasitic alkaloids with Leishmania protein targets: a molecular docking analysis.Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors.Optimization of protein-protein docking for predicting Fc-protein interactions.The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals.Determination of locked interfaces in biomolecular complexes using Haptimol_RD.
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Challenges and advances in computational docking: 2009 in review.
description
article científic
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article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 23 October 2010
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vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
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vědecký článek
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name
Challenges and advances in computational docking: 2009 in review.
@en
Challenges and advances in computational docking: 2009 in review.
@nl
type
label
Challenges and advances in computational docking: 2009 in review.
@en
Challenges and advances in computational docking: 2009 in review.
@nl
prefLabel
Challenges and advances in computational docking: 2009 in review.
@en
Challenges and advances in computational docking: 2009 in review.
@nl
P2860
P50
P356
P1476
Challenges and advances in computational docking: 2009 in review.
@en
P2860
P304
P356
10.1002/JMR.1077
P577
2010-10-23T00:00:00Z