Drug Discovery by Automated Adaptation of Chemical Structure and Identity-Reference-Cited by-同舟云学术

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Drug Discovery by Automated Adaptation of Chemical Structure and Identity

Published:2022-07-14 Issue:8 Volume:18 Page:5006-5024
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Patel Lara A.,Chau Phuong,Debesai Serena,Darwin Leah,Neale Chris^ORCID

Funder

Laboratory Directed Research and Development

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01271

Reference201 articles.

1. Computer-Aided Drug Design Methods

2. A Critical Assessment of Docking Programs and Scoring Functions

3. Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations

4. High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

5. Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph;Physical Chemistry Chemical Physics;2023

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