Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation.
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Structure prediction and validation of the ERK8 kinase domainIdentification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabHPotential modes of interaction of 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives with the 5-HT2A receptor: a ligand structure-affinity relationship, receptor mutagenesis and receptor modeling investigationMethoxy-substituted 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives exhibit differential binding affinities at the 5-HT(2A) receptorKinetic and molecular analysis of 5-epiaristolochene 1,3-dihydroxylase, a cytochrome P450 enzyme catalyzing successive hydroxylations of sesquiterpenesDrug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening MethodologiesSwissParam: A fast force field generation tool for small organic moleculesIn Silico and Biochemical Characterization of Lysozyme-Like Proteins in the RatA novel, highly selective inhibitor of pestivirus replication that targets the viral RNA-dependent RNA polymerase.Targeted rescue of a destabilized mutant of p53 by an in silico screened drugThe role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and DX-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor designDesign of O -Acetylserine Sulfhydrylase Inhibitors by Mimicking NatureStructural Flexibility of the Macrophage Dengue Virus Receptor CLEC5AStructural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosisMechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membraneTargeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular ModelingStructural Analysis of the Role of Pseudomonas aeruginosa Penicillin-Binding Protein 5 in -Lactam ResistanceCD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose TemplateCrystal Structure of the Mobile Metallo- -Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the Role of Gln157Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoniCrystal structure of the dopamine N -acetyltransferase–acetyl-CoA complex provides insights into the catalytic mechanismFragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 InhibitorsHigh resolution crystal structure of Clostridium propionicum β-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamilyBinding to large enzyme pockets: small-molecule inhibitors of trypanothione reductaseSelective inhibitors of the protein tyrosine phosphatase SHP2 block cellular motility and growth of cancer cells in vitro and in vivoCytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiersBenchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceApplying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationOpen Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery fieldvSDC: a method to improve early recognition in virtual screening when limited experimental resources are availableVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsFrom protein structure to function via single crystal optical spectroscopyDevelopment of novel ACK1/TNK2 inhibitors using a fragment-based approachKaempferol Exhibits Progestogenic Effects in Ovariectomized RatsA machine learning approach to predicting protein-ligand binding affinity with applications to molecular dockingCharacterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screeningA consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring functionConformational transitions upon ligand binding: holo-structure prediction from apo conformationsMolecular interaction studies of trimethoxy flavone with human serum albumin
P2860
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P2860
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation.
description
1995 nî lūn-bûn
@nan
1995年の論文
@ja
1995年学术文章
@wuu
1995年学术文章
@zh-cn
1995年学术文章
@zh-hans
1995年学术文章
@zh-my
1995年学术文章
@zh-sg
1995年學術文章
@yue
1995年學術文章
@zh
1995年學術文章
@zh-hant
name
Molecular recognition of recep ...... a description of desolvation.
@en
Molecular recognition of recep ...... a description of desolvation.
@nl
type
label
Molecular recognition of recep ...... a description of desolvation.
@en
Molecular recognition of recep ...... a description of desolvation.
@nl
prefLabel
Molecular recognition of recep ...... a description of desolvation.
@en
Molecular recognition of recep ...... a description of desolvation.
@nl
P2093
P1476
Molecular recognition of recep ...... a description of desolvation.
@en
P2093
P356
10.1016/S0022-2836(95)80037-9
P407
P577
1995-01-01T00:00:00Z