Holo Protein Conformation Generation from Apo Structures by Ligand Binding Site Refinement
Author:
Affiliation:
1. School of Physics, Huazhong University of Science and Technology, Wuhan430074, Hubei, P. R. China
Funder
Huazhong University of Science and Technology
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00895
Reference72 articles.
1. End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
2. Thermodynamics of Protein–Ligand Interactions: History, Presence, and Future Aspects
3. Calorimetry and Thermodynamics in Drug Design
4. Advances and Challenges in Protein-Ligand Docking
5. Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
Cited by 7 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. PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking;2024-02-03
2. Making Use of Averaging Methods in MODELLER for Protein Structure Prediction;International Journal of Molecular Sciences;2024-01-31
3. DiffBindFR: an SE(3) equivariant network for flexible protein–ligand docking;Chemical Science;2024
4. Identifying inhibitors of Trypanosoma cruzi nucleoside diphosphate kinase 1 as potential repurposed drugs for Chagas’ disease;Biochemical Pharmacology;2023-10
5. CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein–Ligand Binding Modes;Journal of Chemical Information and Modeling;2023-07-18
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3