A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
about
De novo discovery of serotonin N-acetyltransferase inhibitorsIdentification of xenoestrogens in food additives by an integrated in silico and in vitro approachCharting a Path to Success in Virtual ScreeningSurfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI InhibitorsThe Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand RecognitionApplying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationIdentification of Tazarotenic Acid as the First Xenobiotic Substrate of Human Retinoic Acid Hydroxylase CYP26A1 and CYP26B1Automated docking screens: a feasibility studyComparing neural-network scoring functions and the state of the art: applications to common library screeningPredicting protein ligand binding sites by combining evolutionary sequence conservation and 3D structureAMMOS: Automated Molecular Mechanics Optimization tool for in silico ScreeningFINDSITE: a threading-based approach to ligand homology modelingProteochemometric modeling of the bioactivity spectra of HIV-1 protease inhibitors by introducing protein-ligand interaction fingerprintCANDO and the infinite drug discovery frontierComputational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual ScreeningDesign of glycopeptides used to investigate class II MHC binding and T-cell responses associated with autoimmune arthritisIs It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?Benchmarking sets for molecular dockingDecoys for dockingVariety of antiprion compounds discovered through an in silico screen based on cellular-form prion protein structure: Correlation between antiprion activity and binding affinity.PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.Docking screens: right for the right reasons?VoteDock: consensus docking method for prediction of protein-ligand interactions.Computational methods in drug discovery.Lead optimization mapper: automating free energy calculations for lead optimization.Perspective: Alchemical free energy calculations for drug discovery.Modeling of protein binary complexes using structural mass spectrometry data.Identification of novel leads applying in silico studies for Mycobacterium multidrug resistant (MMR) protein.Kinetic characterization and molecular docking of a novel, potent, and selective slow-binding inhibitor of human cathepsin LMolecular modeling of the reductase domain to elucidate the reaction mechanism of reduction of peptidyl thioester into its corresponding alcohol in non-ribosomal peptide synthetases.Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPasePharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets.Identification of new classes of ricin toxin inhibitors by virtual screening.Sequence optimization and designability of enzyme active sites.Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screeningIdentification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studiesFrom laptop to benchtop to bedside: structure-based drug design on protein targets.Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug design.Advances and challenges in protein-ligand dockingProbing molecular docking in a charged model binding site.
P2860
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P2860
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh-hant
name
A detailed comparison of curre ...... s of pharmaceutical relevance.
@en
A detailed comparison of curre ...... s of pharmaceutical relevance.
@nl
type
label
A detailed comparison of curre ...... s of pharmaceutical relevance.
@en
A detailed comparison of curre ...... s of pharmaceutical relevance.
@nl
prefLabel
A detailed comparison of curre ...... s of pharmaceutical relevance.
@en
A detailed comparison of curre ...... s of pharmaceutical relevance.
@nl
P2093
P356
P1433
P1476
A detailed comparison of curre ...... s of pharmaceutical relevance.
@en
P2093
Emanuele Perola
Paul S Charifson
W Patrick Walters
P2860
P304
P356
10.1002/PROT.20088
P407
P577
2004-08-01T00:00:00Z