Molecular docking and structure-based virtual screening | In Silico Drug Discovery and Design
2015-06 | JCUP VI | Tokyo, JP
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity | Nature
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology | Journal of Medicinal Chemistry
Structural dynamics and inhibitor searching for Wnt-4 protein usi | DDDT
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology | Journal of Medicinal Chemistry
Natural bioactive compounds as a new source of promising G protein-coupled estrogen receptor (GPER) modulators: comprehensive in
SiteOwl Integrates Design, Installation & Management in a Single Platform | SDM Magazine
IJMS | Free Full-Text | Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design | HTML
Frontiers | Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products
Combination of ligand and structure based virtual screening approaches for the discovery of potential PARP1 inhibitors | PLOS ONE
Artificial Intelligence Applied to the Rapid Identification of New Antimalarial Candidates with Dual‐Stage Activity - Lima - 2021 - ChemMedChem - Wiley Online Library
OEToolkits 2015.Jun — Toolkits -- Python
VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening - Gally - 2017 - Molecular Informatics - Wiley Online Library
Virtual Libraries for Docking Methods: Guidelines for the Selection and the Preparation - ScienceDirect
Inhibition of neuronal FLT3 receptor tyrosine kinase alleviates peripheral neuropathic pain in mice | Nature Communications
DockStream: a docking wrapper to enhance de novo molecular design | Journal of Cheminformatics | Full Text
Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor | Science
Frontiers | Closing the Critical Period Is Required for the Maturation of Binocular Integration in Mouse Primary Visual Cortex
Virtual Screening - an overview | ScienceDirect Topics
Chemoinformatics-based enumeration of chemical libraries: a tutorial | Journal of Cheminformatics | Full Text
Machine learning classification can reduce false positives in structure-based virtual screening | PNAS
Chemoinformatics-based enumeration of chemical libraries: a tutorial | Journal of Cheminformatics | Full Text
Machine learning classification can reduce false positives in structure-based virtual screening | PNAS
IJMS | Free Full-Text | Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design | HTML
IJMS | Free Full-Text | Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design | HTML
Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies. - Abstract - Europe PMC
