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Characterizing the Zika Virus Genome – A Bioinformatics StudyAntiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight.Refinement of Protein Structure Predicted Models Using Minimum Spanning Tree.Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets.Recent Progress on Computer-Aided Inhibitor Design of H5N1 Influenza A Virus.Integrating Multiple Receptor Conformation Docking and Multi Dimensional QSAR for Enhancing Accuracy of Binding Affinity Prediction.Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors.Current drug design of anti-HIV agents through the inhibition of C-C chemokine receptor type 5.Revision of QSAR, docking, and molecular modeling studies of anti-influenza virus A (H1N1) drugs and targets: analysis of hemagglutinins 3D structure.Biomedical data integration in computational drug design and bioinformatics.Evolutionary computation and QSAR research.Novel Algorithms for the Identification of Biologically Informative Chemical Diversity Metrics.Bioavailability through PepT1: the role of computer modelling in intelligent drug design.Development of Chemical Compound Libraries for In Silico Drug Screening.Systematic generation of chemical structures for rational drug design based on QSAR models.Metabolomics of medicinal plants: the importance of multivariate analysis of analytical chemistry data.Use of mathematical structural invariants in analyzing combinatorial libraries: a case study with psoralen derivatives.Structure-retention relationship study of HPLC data of antiepileptic hydantoin analogues.High content pharmacophores from molecular fields: a biologically relevant method for comparing and understanding ligands.Mitotic checkpoint proteins Mad1 and Mad2 - structural and functional relationship with implication in genetic diseases.Multi-target QSAR and docking study of steroids binding to corticosteroid-binding globulin and sex hormone-binding globulin.Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach.Towards the chemoinformatic-based identification of DNA methyltransferase inhibitors: 2D- and 3D-similarity profile of screening libraries.Efficacy prediction of jamu formulations by PLS modeling.Chemical graphs, molecular matrices and topological indices in chemoinformatics and quantitative structure-activity relationships.Cycloxygenase-2 (COX-2)--a potential target for screening of small molecules as radiation countermeasure agents: an in silico study.Molecular docking: a powerful approach for structure-based drug discoveryLigand and Structure Based Models for the Identification of Beta 2 Adrenergic Receptor Antagonists.Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP).Combined 3D-QSAR and Molecular Docking Study for Identification of Diverse Natural Products as Potent Pf ENR Inhibitors.3D Structure Generation, Molecular Dynamics and Docking Studies of IRHOM2 Protein Involved in Cancer & Rheumatoid Arthritis.Topological Model for the Search of New Antibacterial Drugs. 158 Theoretical Candidates.Discovery of Novel HIV-1 Integrase Inhibitors Using QSAR-Based Virtual Screening of the NCI Open Database.Latrunculin A - Insight into Specific Modifications to Design Novel Drugs to Overcome Resistance.Molecular Dynamics Simulation Reveal the Mechanism of Resistance of Mutant Actins to Latrunculin A - Insight into Specific Modifications to Design Novel Drugs to Overcome Resistance.Rational drug discovery of HCV helicase inhibitor: Improved docking accuracy with multiple seedings of Autodock Vina and in situ minimization.Pharmacophore and Docking Guided Virtual Screening Study for Discovery of Type I Inhibitors of VEGFR-2 Kinase.CAPi: Computational Model for Apicoplast Inhibitors Prediction Against Plasmodium Parasite.In silico Analysis of AMP-Activated Protein Kinase and Ligand-based Virtual Screening for Identification of Novel AMPK Activators.PET and SPECT Imaging of Tumor Biology: New Approaches towards Oncology Drug Discovery and Development.
P1433
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P1433
description
journal
@en
revista científica
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rivista scientifica
@it
wetenschappelijk tijdschrift van Bentham Science Publishers
@nl
wissenschaftliche Fachzeitschrift
@de
name
Current computer-aided drug design
@ast
Current computer-aided drug design
@en
Current computer-aided drug design
@es
Current computer-aided drug design
@nl
type
label
Current computer-aided drug design
@ast
Current computer-aided drug design
@en
Current computer-aided drug design
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Current computer-aided drug design
@nl
altLabel
Curr Comput Aided Drug Des
@en
prefLabel
Current computer-aided drug design
@ast
Current computer-aided drug design
@en
Current computer-aided drug design
@es
Current computer-aided drug design
@nl
P3181
P1055
P1156
4700152609
P1277
P1476
Current computer-aided drug design
@en