Hydration Free Energies of Polypeptides from Popular Implicit Solvent Models versus All-Atom Simulation Results Based on Molecular Quasichemical Theory-Reference-Cited by-同舟云学术

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Hydration Free Energies of Polypeptides from Popular Implicit Solvent Models versus All-Atom Simulation Results Based on Molecular Quasichemical Theory

Published:2022-11-10 Issue:46 Volume:126 Page:9607-9616
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Adhikari Rohan S.¹,Parambathu Arjun Valiya²^ORCID,Chapman Walter G.¹^ORCID,Asthagiri Dilipkumar N.³^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas77005, United States

2. Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware19711, United States

3. Oak Ridge National Laboratory, Oak Ridge, Tennessee37830-6012, United States

Funder

Welch 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.2c05725

Reference75 articles.

1. Water as an Active Constituent in Cell Biology

2. Potential-distribution theory and the statistical mechanics of fluids

3. The Potential Distribution Theorem and Models of Molecular Solutions

4. Implicit solvent models

5. Recent advances in implicit solvent-based methods for biomolecular simulations

Cited by 1 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. Influence of Charge Block Length on Conformation and Solution Behavior of Polyampholytes;ACS Macro Letters;2023-01-25

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