FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose Selection-Reference-Cited by-同舟云学术

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FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose Selection

Published:2021-09-23 Issue:10 Volume:17 Page:6647-6657
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pei Jun¹^ORCID,Song Lin Frank¹^ORCID,Merz Kenneth M.²^ORCID

Affiliation:

1. Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, Michigan 48824, United States

2. Department of Chemistry and the Department of Biochemistry and Molecular Biology, Michigan State University, 578 S. Shaw Lane, East Lansing, Michigan 48824, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00503

Reference51 articles.

1. Automated docking with grid-based energy evaluation

2. Automated flexible ligand docking method and its application for database search

3. Automated docking of flexible ligands: Applications of autodock

4. Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis

5. MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug 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. Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking;Journal of Chemical Information and Modeling;2022-04-21

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