EDITORIAL
Published on 29 Jun 2022
Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II
doi 10.3389/fphar.2022.945747
- 998 views
- Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
- Research Topics
- Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II
Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II
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Articles
ORIGINAL RESEARCH
Published on 29 Jun 2022
Probabilistic Pocket Druggability Prediction via One-Class Learning
doi 10.3389/fphar.2022.870479
- 3,339 views
- 8 citations
REVIEW
Published on 03 May 2022
Machine Learning in Antibacterial Drug Design
doi 10.3389/fphar.2022.864412
- 6,465 views
- 33 citations
ORIGINAL RESEARCH
Published on 03 May 2022
Structure-Based Design of 2-Aminopurine Derivatives as CDK2 Inhibitors for Triple-Negative Breast Cancer
doi 10.3389/fphar.2022.864342
- 2,474 views
- 3 citations
TECHNOLOGY AND CODE
Published on 26 Apr 2022
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets
doi 10.3389/fphar.2022.874746
- 4,389 views
- 9 citations
ORIGINAL RESEARCH
Published on 21 Apr 2022
Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches
doi 10.3389/fphar.2022.837369
- 3,165 views
- 18 citations
ORIGINAL RESEARCH
Published on 18 Mar 2022
A Set of Experimentally Validated Decoys for the Human CC Chemokine Receptor 7 (CCR7) Obtained by Virtual Screening
doi 10.3389/fphar.2022.855653
- 2,087 views
- 3 citations
ORIGINAL RESEARCH
Published on 18 Mar 2022
A New Strategy for Multitarget Drug Discovery/Repositioning Through the Identification of Similar 3D Amino Acid Patterns Among Proteins Structures: The Case of Tafluprost and its Effects on Cardiac Ion Channels
doi 10.3389/fphar.2022.855792
- 1,691 views
- 6 citations
ORIGINAL RESEARCH
Published on 11 Mar 2022
Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design
doi 10.3389/fphar.2022.837715
- 5,495 views
- 14 citations
REVIEW
Published on 10 Mar 2022
From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output
doi 10.3389/fphar.2022.844293
- 3,085 views
- 5 citations
ORIGINAL RESEARCH
Published on 10 Mar 2022
Limits of Prediction for Machine Learning in Drug Discovery
doi 10.3389/fphar.2022.832120
- 2,468 views
- 5 citations
REVIEW
Published on 09 Mar 2022
The Impact of the Secondary Binding Pocket on the Pharmacology of Class A GPCRs
doi 10.3389/fphar.2022.847788
- 4,952 views
- 17 citations
Published in
Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
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