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
- 1,939 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
- 12,223 views
- 47 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
- 24,222 views
- 144 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
- 3,247 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
- 7,163 views
- 46 citations
REVIEW
Published on 05 Jun 2018
Computational Chemical Synthesis Analysis and Pathway Design
doi 10.3389/fchem.2018.00199
- 17,936 views
- 47 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
- 8,392 views
- 74 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
- 2,752 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
- 25,463 views
- 119 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
- 7,122 views
- 14 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
- 4,829 views
- 30 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
- 1,845 views
- 20 citations
