about
Improved prediction of HIV-1 protease-inhibitor binding energies by molecular dynamics simulationsChemical genomics: what will it take and who gets to play?A free energy based computational pathway from chemical templates to lead compounds: a case study of COX-2 inhibitorsAutomated protein structure homology modeling: a progress report.Pocketome via comprehensive identification and classification of ligand binding envelopes.PocketPicker: analysis of ligand binding-sites with shape descriptors.Virtual ligand screening against comparative protein structure models.Display technologies: application for the discovery of drug and gene delivery agents.Molecular docking screens using comparative models of proteinsApurinic/apyrimidinic endonuclease/redox effector factor-1(APE/Ref-1): a unique target for the prevention and treatment of human melanoma.Target assessment for antiparasitic drug discovery.Current challenges and trends in the discovery of agrochemicals.Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs).Multipose binding in molecular docking.High-content phenotypic screenings to identify inhibitors of Candida albicans biofilm formation and filamentation.Prediction of the membrane-spanning beta-strands of the major outer membrane protein of Chlamydia.Molecular drug targets and structure based drug design: A holistic approach.Predicting pKa values from EEM atomic charges.MedusaScore: an accurate force field-based scoring function for virtual drug screening.Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?Queuosine modification of tRNA: its divergent role in cellular machinery.Peptidoglycan biosynthesis machinery: a rich source of drug targets.Rational structure-based drug design and optimization in the ligand-binding domain of the glucocorticoid receptor-α.Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells.Enhanced molecular dynamics sampling of drug target conformations.Advantages of Structure-Based Drug design Approaches in Neurological Disorders.2-pyrazoline derivatives in neuropharmacology: Synthesis, ADME prediction, molecular docking and in vivo biological evaluationProtein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiationOn the modeling of snake venom serine proteinase interactions with benzamidine-based thrombin inhibitors.Layers: A molecular surface peeling algorithm and its applications to analyze protein structures.Schizonticidal antimalarial sesquiterpene lactones from Magnolia champaca (L.) Baill. ex Pierre: microwave-assisted extraction, HPTLC fingerprinting and computational studies.Molecular docking studies of protein-nucleotide complexes using MOLSDOCK (mutually orthogonal Latin squares DOCK).Analysis of HIV protease binding pockets based on 3D shape and electrostatic potential descriptors.Structure-based function analysis of putative conserved proteins with isomerase activity from Haemophilus influenzae.N1-benzenesulfonyl-2-pyrazoline hybrids in neurological disorders: Syntheses, biological screening and computational studies.
P2860
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P2860
description
2000 nî lūn-bûn
@nan
2000 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
Recent developments in structure-based drug design.
@ast
Recent developments in structure-based drug design.
@en
type
label
Recent developments in structure-based drug design.
@ast
Recent developments in structure-based drug design.
@en
prefLabel
Recent developments in structure-based drug design.
@ast
Recent developments in structure-based drug design.
@en
P356
P1476
Recent developments in structure-based drug design.
@en
P2093
P2888
P304
P356
10.1007/S001090000084
P577
2000-01-01T00:00:00Z
P6179
1011116068