ORIGINAL RESEARCH
Published on 13 Nov 2018
Dual-Specificity Phosphatase CDC25B Was Inhibited by Natural Product HB-21 Through Covalently Binding to the Active Site
doi 10.3389/fchem.2018.00531
- 1,869 views
- 9 citations
- Frontiers in Chemistry
- Medicinal and Pharmaceutical Chemistry
- Research Topics
- Virtual Drug Design
Virtual Drug Design
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Articles
REVIEW
Published on 11 Sep 2018
Structure, Function, and Modulation of γ-Aminobutyric Acid Transporter 1 (GAT1) in Neurological Disorders: A Pharmacoinformatic Prospective
doi 10.3389/fchem.2018.00397
- 11,486 views
- 45 citations
REVIEW
Published on 25 Jul 2018
Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
doi 10.3389/fchem.2018.00315
- 23,597 views
- 135 citations
ORIGINAL RESEARCH
Published on 02 Jul 2018
In Silico Workflow for the Discovery of Natural Products Activating the G Protein-Coupled Bile Acid Receptor 1
doi 10.3389/fchem.2018.00242
- 3,139 views
- 16 citations
ORIGINAL RESEARCH
Published on 19 Jun 2018
Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA
doi 10.3389/fchem.2018.00229
- 6,968 views
- 46 citations
REVIEW
Published on 05 Jun 2018
Computational Chemical Synthesis Analysis and Pathway Design
doi 10.3389/fchem.2018.00199
- 17,580 views
- 44 citations
MINI REVIEW
Published on 29 May 2018
Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization
doi 10.3389/fchem.2018.00188
- 8,259 views
- 70 citations
ORIGINAL RESEARCH
Published on 15 May 2018
Structure-Based Design, Synthesis, Biological Evaluation, and Molecular Docking of Novel PDE10 Inhibitors With Antioxidant Activities
doi 10.3389/fchem.2018.00167
- 2,685 views
- 9 citations
REVIEW
Published on 09 May 2018
Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds
doi 10.3389/fchem.2018.00138
- 25,025 views
- 112 citations
ORIGINAL RESEARCH
Published on 30 Apr 2018
Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening
doi 10.3389/fchem.2018.00140
- 6,952 views
- 13 citations
ORIGINAL RESEARCH
Published on 26 Apr 2018
How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors
doi 10.3389/fchem.2018.00133
- 4,711 views
- 29 citations
CORRECTION
Published on 13 Apr 2018
Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
doi 10.3389/fchem.2018.00129
- 1,762 views
- 20 citations
Published in
Frontiers in Chemistry
- Medicinal and Pharmaceutical Chemistry
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- 229kTopic views
- 183kArticle views
- 42kArticle downloads