GalaxyDock-DL: Protein–Ligand Docking by Global Optimization and Neural Network Energy-Reference-Cited by-同舟云学术

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GalaxyDock-DL: Protein–Ligand Docking by Global Optimization and Neural Network Energy

Published:2024-08-07 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lee Changsoo¹^ORCID,Won Jonghun²,Ryu Seongok²,Yang Jinsol²,Jung Nuri¹^ORCID,Park Hahnbeom³⁴,Seok Chaok¹²^ORCID

Affiliation:

1. Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea

2. Galux Inc., Seoul 08738, Republic of Korea

3. Brain Science Institute, Korea Institute of Science and Technology, Seoul 02456, Republic of Korea

4. KIST-SKKU Brain Research Center, SKKU Institute for Convergence, Sungkyunkwan University, Suwon 16419, Republic of Korea

Funder

Samsung Science and Technology Foundation

National Research Foundation of Korea

Institute for Information and Communications Technology Promotion

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00385

Reference45 articles.

1. Structure-Based Strategies for Drug Design and Discovery

2. Molecular Recognition and Docking Algorithms

3. Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

4. Generalized biomolecular modeling and design with RoseTTAFold All-Atom

5. Structure prediction of protein-ligand complexes from sequence information with Umol

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