EDITORIAL
Published on 04 Dec 2018
Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
doi 10.3389/fphar.2018.01416
- 4,264 views
- 18 citations
- Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
- Research Topics
- Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
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Articles
MINI REVIEW
Published on 13 Nov 2018
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
doi 10.3389/fphar.2018.01275
- 64,449 views
- 344 citations
ORIGINAL RESEARCH
Published on 06 Nov 2018
Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction
doi 10.3389/fphar.2018.01256
- 5,861 views
- 29 citations
REVIEW
Published on 01 Nov 2018
Chemoinformatics Strategies for Leishmaniasis Drug Discovery
doi 10.3389/fphar.2018.01278
- 5,745 views
- 19 citations
ORIGINAL RESEARCH
Published on 11 Oct 2018
Development of an Infrastructure for the Prediction of Biological Endpoints in Industrial Environments. Lessons Learned at the eTOX Project
doi 10.3389/fphar.2018.01147
- 2,352 views
- 11 citations
ORIGINAL RESEARCH
Published on 10 Oct 2018
Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors
doi 10.3389/fphar.2018.01136
- 6,667 views
- 20 citations
ORIGINAL RESEARCH
Published on 02 Oct 2018
Using Machine Learning to Predict Synergistic Antimalarial Compound Combinations With Novel Structures
doi 10.3389/fphar.2018.01096
- 7,808 views
- 33 citations
REVIEW
Published on 24 Sep 2018
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
doi 10.3389/fphar.2018.01089
- 35,785 views
- 221 citations
ORIGINAL RESEARCH
Published on 05 Sep 2018
Discovery of Potent Disheveled/Dvl Inhibitors Using Virtual Screening Optimized With NMR-Based Docking Performance Index
doi 10.3389/fphar.2018.00983
- 7,936 views
- 14 citations
REVIEW
Published on 22 Aug 2018
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
doi 10.3389/fphar.2018.00923
- 72,770 views
- 474 citations
ORIGINAL RESEARCH
Published on 25 Jul 2018
In Silico Discovery of Plant-Origin Natural Product Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)
doi 10.3389/fphar.2018.00800
- 6,568 views
- 18 citations
ORIGINAL RESEARCH
Published on 09 Jul 2018
Gossypol Inhibits Non-small Cell Lung Cancer Cells Proliferation by Targeting EGFRL858R/T790M
doi 10.3389/fphar.2018.00728
- 3,144 views
- 21 citations
Published in
Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
Impact
- 494kTopic views
- 407kArticle views
- 79kArticle downloads