Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology | Journal of Medicinal Chemistry
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
Molecular docking and structure-based virtual screening | In Silico Drug Discovery and Design
Combination of ligand and structure based virtual screening approaches for the discovery of potential PARP1 inhibitors | PLOS ONE
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candi
Artificial Intelligence Applied to the Rapid Identification of New Antimalarial Candidates with Dual‐Stage Activity - Lima - 2021 - ChemMedChem - Wiley Online Library
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Molecules | Free Full-Text | Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CLpro) Non-Covalent Small-Molecule Inhibitors | HTML
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
Virtual Libraries for Docking Methods: Guidelines for the Selection and the Preparation - ScienceDirect
Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies. - Abstract - Europe PMC
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How Frequently Are Pan-Assay Interference Compounds Active? Large-Scale Analysis of Screening Data Reveals Diverse Activity Profiles, Low Global Hit Frequency, and Many Consistently Inactive Compounds | Journal of Medicinal Chemistry
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
Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor | Science
Virtual Screening - an overview | ScienceDirect Topics
DockStream: a docking wrapper to enhance de novo molecular design | Journal of Cheminformatics | Full Text
VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening - Gally - 2017 - Molecular Informatics - Wiley Online Library
Frontiers | Closing the Critical Period Is Required for the Maturation of Binocular Integration in Mouse Primary Visual Cortex
Natural bioactive compounds as a new source of promising G protein-coupled estrogen receptor (GPER) modulators: comprehensive in
