Characterizing Protein Protonation Microstates Using Monte Carlo Sampling-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Characterizing Protein Protonation Microstates Using Monte Carlo Sampling

Published:2022-03-28 Issue:13 Volume:126 Page:2476-2485
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Khaniya Umesh¹²,Mao Junjun¹,Wei Rongmei Judy¹³,Gunner M. R.¹²³^ORCID

Affiliation:

1. Department of Physics, City College of New York, New York, New York 10031, United States

2. Department of Physics, The Graduate Center, City University of New York, New York, New York 10016, United States

3. Department of Chemistry, The Graduate Center, City University of New York, New York, New York 10016, United States

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c00139

Reference74 articles.

1. L-2-Hydroxyglutarate production arises from noncanonical enzyme function at acidic pH

2. Protonation Changes upon Ligand Binding to Trypsin and Thrombin: Structural Interpretation Based on pKa Calculations and ITC Experiments

3. Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study

4. Using Multiconformation Continuum Electrostatics to Compare Chloride Binding Motifs in α-Amylase, Human Serum Albumin, and Omp32

5. Statistics and Physical Origins of pK and Ionization State Changes upon Protein-Ligand Binding

Cited by 10 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. Perspective on Integrative Simulations of Bioenergetic Domains;The Journal of Physical Chemistry B;2024-04-02

2. Modeling pH-Dependent Biomolecular Photochemistry;Journal of Chemical Theory and Computation;2024-01-10

3. Computing the Relative Affinity of Chlorophylls a and b to Light-Harvesting Complex II;The Journal of Physical Chemistry B;2023-12-14

4. Applicability of Transition State Theory to the (Proton-Coupled) Electron Transfer in Photosynthetic Water Oxidation with Emphasis on the Entropy of Activation;Inorganics;2023-09-30

5. Quantum Computer Simulation of Protein Protonation;Journal of Chemical Theory and Computation;2023-08-09

同舟云学术

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