about
Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening MethodologiesThe ABCC6 Transporter as a Paradigm for Networking from an Orphan Disease to Complex DisordersAutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock VinaCombination therapeutics in complex diseasesData-driven integration of genome-scale regulatory and metabolic network modelsChance favors the prepared mind--from serendipity to rational drug designMechanism of porcine liver xanthine oxidoreductase mediated N-oxide reduction of cyadox as revealed by docking and mutagenesis studiesAnalysis of homodimeric protein interfaces by graph-spectral methods.In silico study on multidrug resistance conferred by I223R/H275Y double mutant neuraminidase.Related genes and potential biomarkers for early diagnosis of Alzheimer's disease: a preliminary study based on DNA microarray.A tool for the post data analysis of screened compounds derived from computer-aided docking scoresEvaluation of the FLEXX incremental construction algorithm for protein-ligand docking.A method to identify and screen libraries of guests that complex to a synthetic host.Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPaseNovel Class IIa-Selective Histone Deacetylase Inhibitors Discovered Using an in Silico Virtual Screening Approach.Modeling helix-turn-helix protein-induced DNA bending with knowledge-based distance restraints.Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations.Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis.Inhibition of hepatitis C virus 3a genotype entry through Glanthus Nivalis Agglutinin.Efficient discovery of responses of proteins to compounds using active learningExploring the functional residues in a flavin-binding fluorescent protein using deep mutational scanning.Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology.Bile acids and their oxo derivatives: Potential inhibitors of carbonic anhydrase I and II, androgen receptor antagonists and CYP3A4 substrates.Virtual interactomics of proteins from biochemical standpoint.Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applicationsLigand binding site identification by higher dimension molecular dynamicsInferences from the ADMET analysis of predicted inhibitors to Follicle Stimulating Hormone in the context of infertility.Antimicrobial activity of Tachyplesin 1 against Burkholderia pseudomallei: an in vitro and in silico approach.Non-clinical studies required for new drug development - Part I: early in silico and in vitro studies, new target discovery and validation, proof of principles and robustness of animal studies.A proposal for the revision of molecular boundary typology.Stability of peptides and therapeutic success in cancer.Allosteric inhibition of the hepatitis C virus NS5B polymerase: in silico strategies for drug discovery and development.Protein kinase C βII in diabetic complications: survey of structural, biological and computational studies.Discovery strategies in a pharmaceutical setting: the application of computational techniques.Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review.Functional group based Ligand binding affinity scoring function at atomic environmental level.Computer Aided Screening of Phytochemicals from Garcinia against the Dengue NS2B/NS3 ProteaseFacile Synthesis of Novel Coumarin Derivatives, Antimicrobial Analysis, Enzyme Assay, Docking Study, ADMET Prediction and Toxicity Study.Inhibition of cell survival and proliferation by nimbolide in human androgen-independent prostate cancer (PC-3) cells: involvement of the PI3K/Akt pathway.Spectroscopic and molecular modeling based approaches to study on the binding behavior of DNA with a copper (II) complex.
P2860
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P2860
description
1996 nî lūn-bûn
@nan
1996 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
1996 թվականի հունիսին հրատարակված գիտական հոդված
@hy
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
name
Computational methods for biomolecular docking.
@ast
Computational methods for biomolecular docking.
@en
Computational methods for biomolecular docking.
@nl
type
label
Computational methods for biomolecular docking.
@ast
Computational methods for biomolecular docking.
@en
Computational methods for biomolecular docking.
@nl
prefLabel
Computational methods for biomolecular docking.
@ast
Computational methods for biomolecular docking.
@en
Computational methods for biomolecular docking.
@nl
P1476
Computational methods for biomolecular docking
@en
P2093
P304
P356
10.1016/S0959-440X(96)80061-3
P577
1996-06-01T00:00:00Z