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On-the-Fly QM/MM Docking with Attracting Cavities

  • Published:2016-12-16 Issue:1 Volume:57 Page:73-84
  • ISSN:1549-9596
  • Container-title:Journal of Chemical Information and Modeling
  • language:en
  • Short-container-title:J. Chem. Inf. Model.

Author:

Chaskar Prasad1,Zoete Vincent1ORCID,Röhrig Ute F.1ORCID

Affiliation:

1. SIB Swiss Institute of Bioinformatics, Molecular Modeling Group, CH-1015 Lausanne, Switzerland

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Cited by 43 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. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches;International Journal of Molecular Sciences;2023-09-11

2. Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking;Journal of Chemical Information and Modeling;2023-06-07

3. Benefits of hybrid QM/MM over traditional classical mechanics in pharmaceutical systems;Drug Discovery Today;2023-01

4. An overview of antimicrobial resistance and its mechanisms;Bioengineered Nanomaterials for Wound Healing and Infection Control;2023

5. Application of Computational Biology and Artificial Intelligence in Drug Design;International Journal of Molecular Sciences;2022-11-05
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