Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes
Author:
Publisher
Wiley
Subject
Molecular Biology,Biochemistry,Structural Biology
Reference70 articles.
1. NMR and X-ray evidence that the HIV protease catalytic aspartyl groups are protonated in the complex formed by the protease and a non-peptide cyclic urea-based inhibitor;Yamazaki;J Am Chem Soc,1994
2. Solution NMR evidence that the HIV-1 protease catalytic aspartyl groups have different ionization states in the complex formed with the asymmetric drug KNI-272;Wang;Biochemistry,1996
3. pH titration studies of an SH2 domain-phosphopeptide complex: unusual histidine and phosphate pKa values;Singer;Protein Sci,1997
4. Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition;Dullweber;J Mol Biol,2001
5. Om Proteinstoffernes Ionisation;Linderstrom-Lang;Lab Carlsberg,1924
Cited by 60 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. Identifying Performance Conditions for a Radical Scavenging Active Packaging Material;Packaging Technology and Science;2024-07-19
2. Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress;mBio;2024-03-13
3. Prodomain-driven enzyme dimerization, a potent pH-dependent autoinhibition mechanism to controlPlasmodiumSub1 subtilisin-like activity prior to prime merozoite egress;2023-08-01
4. Water Network in the Binding Pocket of Fluorinated BPTI–Trypsin Complexes─Insights from Simulation and Experiment;The Journal of Physical Chemistry B;2022-11-21
5. 2-(Fluoromethoxy)-4′-(S-methanesulfonimidoyl)-1,1′-biphenyl (UCM-1306), an Orally Bioavailable Positive Allosteric Modulator of the Human Dopamine D1 Receptor for Parkinson’s Disease;Journal of Medicinal Chemistry;2022-08-31
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