Alchemical approach performance in calculating the ligand-binding free energy-Reference-Cited by-同舟云学术

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Alchemical approach performance in calculating the ligand-binding free energy

Published:2024 Issue:21 Volume:14 Page:14875-14885
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ngo Son Tung¹²^ORCID,Thai Quynh Mai¹²^ORCID,Nguyen Trung Hai¹²,Tuan Nguyen Ngoc³,Pham T. Ngoc Han⁴,Phung Huong T. T.⁴^ORCID,Quang Duong Tuan⁵

Affiliation:

1. Laboratory of Biophysics, Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam

2. Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Vietnam

3. Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam

4. NTT Hi-Tech Institute, Nguyen Tat Thanh University, Ho Chi Minh City, Vietnam

5. Department of Chemistry, Hue University, Hue City, Thua Thien Hue Province, Vietnam

Abstract

FEP calculation performance depends on the considered targets.

Funder

National Foundation for Science and Technology Development

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D4RA00692E

Reference120 articles.

1. Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods

2. Sequence-dependent DNA condensation as a driving force of DNA phase separation

3. Protein–DNA/RNA Interactions: An Overview of Investigation Methods in the -Omics Era

4. 501Y.V2 spike protein resists the neutralizing antibody in atomistic simulations

5. Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies

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