about
A graph-based approach to construct target-focused libraries for virtual screeningStructure-Based Reverse Vaccinology Failed in the Case of HIV Because it Disregarded Accepted Immunological TheoryVirtual ligand screening against comparative protein structure models.Docking of combinatorial peptide libraries into a broadly cross-reactive human IgM.Molecular docking screens using comparative models of proteinsTowards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.Prediction of off-target effects on angiotensin-converting enzyme 2.A docking-based receptor library of antibiotics and its novel application in predicting chronic mixture toxicity for environmental risk assessment.Molecular docking: a powerful approach for structure-based drug discoveryAn olfactory receptor pseudogene whose function emerged in humans: a case study in the evolution of structure-function in GPCRs.New fuzzy logic strategies for bio-molecular recognition.The therapeutic potential of targeting the cell cycle.Non-covalent interactions involving halogenated derivatives of capecitabine and thymidylate synthase: a computational approach.Mechanism of action of chromogranin A on catecholamine release: molecular modeling of the catestatin region reveals a beta-strand/loop/beta-strand structure secured by hydrophobic interactions and predictive of activity.An ab Initio structural model of a nucleoside permease predicts functionally important residues.Inhibition of ATP synthase by chlorinated adenosine analogue.A novel inhibitor of DNA polymerase beta enhances the ability of temozolomide to impair the growth of colon cancer cells.Interactions of omeprazole-based analogues with cytochrome P450 2C19: a computational study.The discovery of phenylbenzamide derivatives as Grb7-based antitumor agents.Chinese Herbal Medicine Meets Biological Networks of Complex Diseases: A Computational Perspective.A novel inhibitor of Mammalian triosephosphate isomerase found by an in silico approach.In Silico Designing and Analysis of Inhibitors against Target Protein Identified through Host-Pathogen Protein Interactions in Malaria.Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization.Development of a Preventive HIV Vaccine Requires Solving Inverse Problems Which Is Unattainable by Rational Vaccine Design.Design, Synthesis, SAR and Molecular Modeling Studies of Novel Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives as Highly Potent Antimicrobial Agents.Pattern recognition strategies for molecular surfaces. II. Surface complementarity.Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.Docking of small ligands to low-resolution and theoretically predicted receptor structures.What can molecular modelling bring to the design of artificial inorganic cofactors?
P2860
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P2860
description
1996 nî lūn-bûn
@nan
1996年の論文
@ja
1996年論文
@yue
1996年論文
@zh-hant
1996年論文
@zh-hk
1996年論文
@zh-mo
1996年論文
@zh-tw
1996年论文
@wuu
1996年论文
@zh
1996年论文
@zh-cn
name
Molecular docking towards drug discovery.
@en
type
label
Molecular docking towards drug discovery.
@en
prefLabel
Molecular docking towards drug discovery.
@en
P2093
P2860
P1476
Molecular docking towards drug discovery.
@en
P2093
P2860
P304
P356
10.1002/(SICI)1099-1352(199603)9:2<175::AID-JMR260>3.0.CO;2-D
P577
1996-03-01T00:00:00Z