Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.
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VP40 of the Ebola Virus as a Target for EboV Therapy: Comprehensive Conformational and Inhibitor Binding Landscape from Accelerated Molecular Dynamics.Enzymatic Synthesis of Galactosylated Serine/Threonine Derivatives by β-Galactosidase from Escherichia coli.Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development.CD4-gp120 interaction interface - a gateway for HIV-1 infection in human: molecular network, modeling and docking studies.Heat-shock protein 90 (Hsp90) as anticancer target for drug discovery: an ample computational perspective.Computational allosteric ligand binding site identification on Ras proteins.Adenosine Monophosphate-Activated Protein Kinase (AMPK) as a Diverse Therapeutic Target: A Computational Perspective.Interactions of dendrimers with biological drug targets: reality or mystery - a gap in drug delivery and development research.Protein-protein interaction inhibitors: advances in anticancer drug design.The effect of N-methylation of amino acids (Ac-X-OMe) on solubility and conformation: a DFT study.Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems.A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis.Effect of T68A/N126Y mutations on the conformational and ligand binding landscape of Coxsackievirus B3 3C protease.Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2.Quantum mechanics implementation in drug-design workflows: does it really help?Compensatory role of double mutation N348I/M184V on nevirapine binding landscape: insight from molecular dynamics simulation.Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer.Synergism of Plant Compound With Traditional Antimicrobials Against Streptococcus spp. Isolated From Bovine Mastitis.Synthesis, Crystal Structure and DFT Studies of 1,3-Dimethyl-5-propionylpyrimidine-2,4,6(1H,3H,5H)-trioneDual Inhibition of AChE and BChE with the C-5 Substituted Derivative of Meldrum’s Acid: Synthesis, Structure Elucidation, and Molecular Docking Studies
P2860
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P2860
Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.
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article científic
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article scientifique
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articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
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artigo científico
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artikel ilmiah
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artikull shkencor
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artículo científico
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name
Integrated approach to structu ...... and experimental bioactivity.
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type
label
Integrated approach to structu ...... and experimental bioactivity.
@en
prefLabel
Integrated approach to structu ...... and experimental bioactivity.
@en
P2093
P50
P356
P1433
P1476
Integrated approach to structu ...... and experimental bioactivity.
@en
P2093
Bahareh Honarparvar
Glenn E M Maguire
Mahmoud E S Soliman
P304
P356
10.1021/CR300314Q
P577
2013-09-11T00:00:00Z