Quantum Mechanics-Based Fast and Reliable Prediction of Binding Pose Structures-Reference-Cited by-同舟云学术

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Quantum Mechanics-Based Fast and Reliable Prediction of Binding Pose Structures

Published:2024-06-14 Issue:25 Volume:128 Page:6059-6070
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Al-Ansi Amar Y.¹²³,Al-Shawesh Gamal H.¹,Ru Xiao¹⁴,Lin Zijing¹⁴^ORCID

Affiliation:

1. Department of Physics, University of Science and Technology of China, Hefei 230026, China

2. Department of Physics, Sana’a University, Sana’a, Yemen

3. Hangzhou Nain Biotech Co. Ltd., Hangzhou 310015, China

4. Hefei National Laboratory, University of Science and Technology of China, Hefei 230088, China

Funder

National Natural Science Foundation of China

Innovation Program for Quantum Science and Technology

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c02596

Reference53 articles.

1. Ligand binding free energy and kinetics calculation in 2020

2. Evaluation of Docking Performance: Comparative Data on Docking Algorithms

3. Virtual screening of chemical libraries

4. New techniques and strategies in drug discovery

5. In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors

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