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Ligand-Based Virtual Screening Approach Using a New Scoring Function

https://doi.org/10.1021/ci200617d

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Optimizing Electrostatic Similarity for Virtual Screening: A New Methodology

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MultiPharm-DT: A Multi-Objective Decision Tool for Ligand-Based Virtual Screening Problems

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An Effective Solution for Drug Discovery Based on the Tangram Meta-Heuristic and Compound Filtering

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Pharmacophore Modeling in Drug Discovery: Methodology and Current Status

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Importance of consensus region of multiple-ligand templates in a virtual screening method

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A Review on Artificial Intelligence Approaches and Rational Approaches in Drug Discovery

inferred← citeshttps://doi.org/10.2174/1386207318666150305121841openalex-snapshot

A Ligand-Based Virtual Screening Approach to Identify Small Molecules as hERG Channel Activators

inferred← citeshttps://doi.org/10.2174/1570180820666230725110021openalex-snapshot

In vitro Antibacterial Activity of Dye Compounds

inferred← citeshttps://doi.org/10.2174/1570180820666230731144315openalex-snapshot

In vitro and In silico Antibacterial Evaluation of N-Methyl-2-phenylmaleimides

inferred← citeshttps://doi.org/10.2174/1573409914666181003153249openalex-snapshot

3D-QSAR and Molecular Docking Studies on Oxadiazole Substituted Benzimidazole Derivatives: Validation of Experimental Inhibitory Potencies Towards COX-2

inferred← citeshttps://doi.org/10.2174/9789815223019124010007openalex-snapshot

Virtual Tools and Screening Designs for Drug Discovery and New Drug Development

inferred← citeshttps://doi.org/10.2174/9789815223019124010010openalex-snapshot

Experimental Tools as an “Alternative to Animal Research” in Pharmacology

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Physiology of GPCRs in the nervous system and the contribution of orphan GPCRs

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Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery

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Structure-Based Virtual Screening: From Classical to Artificial Intelligence

inferred← citeshttps://doi.org/10.3389/fchem.2021.662688openalex-snapshot

Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products

inferred← citeshttps://doi.org/10.3389/fphar.2019.00519openalex-snapshot

A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset

inferred← citeshttps://doi.org/10.3390/ijms15021826openalex-snapshot

Exploring the Molecular Basis for Selective Binding of Homoserine Dehydrogenase from Mycobacterium leprae TN toward Inhibitors: A Virtual Screening Study

inferred← citeshttps://doi.org/10.3390/ijms23010010openalex-snapshot

Overcoming Depression with 5-HT2A Receptor Ligands

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Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems

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A Systematic Literature Review of the Current Status and Future Prospects of Machine Learning Methods and Techniques Applied to Novel Drug Discovery

inferred← citeshttps://doi.org/10.4155/fmc-2019-0158openalex-snapshot

Virtual Screening of Antibacterial Compounds By Similarity Search of Enoyl-ACP Reductase (FabI) Inhibitors

inferred← citeshttps://doi.org/10.48550/arxiv.1905.12033openalex-snapshot

Leveraging binding-site structure for drug discovery with point-cloud methods

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Drug Repurposing Techniques in Viral Diseases

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Computational approaches for identifying bioactive compounds inhibiting SARS-CoV-2 main protease

inferred← citeshttps://doi.org/10.70675/892e03f0za9b4z4beezaa70z3698e17bbf40openalex-snapshot

Développement de nouveaux agents anticancéreux inhibiteurs de la syntenin

inferred← citeshttps://doi.org/10.7324/japs.2020.10116openalex-snapshot

In silico studies on pyrazine derivatives for identifying potential inhibitors of PIM-1 kinase

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