Predicting solvation free energies and thermodynamics in polar solvents and mixtures using a solvation-layer interface condition
Author:
Affiliation:
1. Department of Mechanical and Industrial Engineering, Northeastern University, Boston, Massachusetts 02115, USA
2. Department of Computational and Applied Mathematics, Rice University, Houston, Texas 77005, USA
Funder
National Science Foundation (NSF)
National Institute of General Medical Sciences (NIGMS)
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4977037
Reference107 articles.
1. Electrostatic Interactions in Macromolecules: Theory and Applications
2. Implicit solvent models
3. On the energy components governing molecular recognition in the framework of continuum approaches
4. Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach
5. Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber
Cited by 16 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. Energy-Scaled Debye–Hückel Theory for the Electrostatic Solvation Free Energy in Size-Asymmetric Electrolyte Solutions;The Journal of Physical Chemistry B;2024-01-18
2. Design and In-silico Screening of Short Antimicrobial Peptides (AMPs) as Anti-Tubercular Agents Targeting INHA;Current Bioinformatics;2023-11
3. Insights from the molecular mechanism of pyrazinamide to mutated pyrazinamidase linked to the pncA gene in clinical isolates of Mycobacterium tuberculosis;Journal of Biomolecular Structure and Dynamics;2023-04-25
4. Thermodynamics and Solubility of Electrolytes in Mixed Solvent Systems at High Temperatures;Industrial & Engineering Chemistry Research;2022-09-28
5. Thermodynamics and Solubility of Electrolytes in Mixed Solvent Systems at High Temperatures;IND ENG CHEM RES;2022
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