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Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensisQuinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2Molecular Shape and Medicinal Chemistry: A PerspectiveTargeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular ModelingIdentification of a small molecule that selectively inhibits mouse PC2 over mouse PC1/3: a computational and experimental studySoftware and resources for computational medicinal chemistryDesign 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?Tackling the challenges posed by target flexibility in drug design.Docking challenge: protein sampling and molecular docking performance.MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPaseA systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growth.Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilisSmall molecule inhibitors of histone acetyltransferase Tip60Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: analysis of scoring functions applied to large true actives and decoy sets.Enrichment of chemical libraries docked to protein conformational ensembles and application to aldehyde dehydrogenase 2Novel human mPGES-1 inhibitors identified through structure-based virtual screening.From laptop to benchtop to bedside: structure-based drug design on protein targets.Advances and challenges in protein-ligand dockingSanjeevini: a freely accessible web-server for target directed lead molecule discoveryDocking validation resources: protein family and ligand flexibility experiments.Identification of novel small molecule TGF-β antagonists using structure-based drug design.Synthesis and Pharmacological Evolution of Tetrahydroisoquinolines as Anti Breast Cancer Agents.In silico identification of EGFR-T790M inhibitors with novel scaffolds: start with extraction of common featuresSynthesis/biological evaluation of hydroxamic acids and their prodrugs as inhibitors for Botulinum neurotoxin A light chain.Molecular docking: a powerful approach for structure-based drug discoverySynthesis and assessment of 4-aminotetrahydroquinazoline derivatives as tick-borne encephalitis virus reproduction inhibitors.Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies.Stereospecific Inhibitory Effects of CCG-1423 on the Cellular Events Mediated by Myocardin-Related Transcription Factor A.Bioinformatics and variability in drug response: a protein structural perspective.Computational Analysis of Amiloride Analogue Inhibitors of Coxsackievirus B3 RNA Polymerase.Quercitrin and quercetin 3-β-d-glucoside as chemical chaperones for the A4V SOD1 ALS-causing mutant.Assessing the regioselectivity of OleD-catalyzed glycosylation with a diverse set of acceptors.Design and evaluation of novel oxadiazole derivatives as potential prostate cancer agents.Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esteraseEffects of acrylamide on the activity and structure of human brain creatine kinase.Size does matter! Label-free detection of small molecule-protein interaction.Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGN.
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Gaussian docking functions
@ast
Gaussian docking functions
@en
Gaussian docking functions
@nl
type
label
Gaussian docking functions
@ast
Gaussian docking functions
@en
Gaussian docking functions
@nl
prefLabel
Gaussian docking functions
@ast
Gaussian docking functions
@en
Gaussian docking functions
@nl
P2093
P3181
P356
P1433
P1476
Gaussian docking functions
@en
P2093
Anthony Nicholls
Frank K Brown
Harold R Almond
J Andrew Grant
Mark R McGann
P3181
P356
10.1002/BIP.10207
P407
P577
2003-01-01T00:00:00Z