Vol. 1 No. 2 (2019)

Welcome to the second issue of the Living Journal of Computational Molecular Science! Articles appear in LiveCoMS in ASAP form as they are prepared for publication, with final versions appearing when the issue is completed.

Issue cover image credit: Benjamin Coscia

Published: 2019-12-02

Articles

Lessons Learned from the Calculation of One-Dimensional Potentials of Mean Force [Article v1.0]

Daniel Markthaler, Sven Jakobtorweihen, Niels Hansen

11073
- PDF
- Article Code Repository
Lessons learned in atomistic simulation of double-stranded DNA: Solvation and salt concerns [Article v1.0]

Rodrigo Galindo-Murillo, Thomas E. Cheatham III

9974
- PDF
- Article Code Repository
Raising the Performance of the Tinker-HP Molecular Modeling Package [Article v1.0]

Luc-Henri Jolly, Alejandro Duran, Louis Lagardère, Jay W. Ponder, Pengyu Ren, Jean-Philip Piquemal

10409
- PDF
- Article Code Repository
A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]

Anthony T. Bogetti, Barmak Mostofian, Alex Dickson, A. J. Pratt, Ali S. Saglam, Page O. Harrison, Max Dudek, Paul A. Torrillo, Alex J. DeGrave, Upendra Adhikari, Matthew C. Zweir, Daniel M. Zuckerman, Lillian T. Chong

10607
- PDF
- Article Code Repository
Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1.0]

Shailesh Kumar Panday, Mihiri H. B. Shashikala, Mahesh Koirala, Swagata Pahari, Arghya Chakvorty, Yunhui Peng, Lin Li, Zhe Jia, Chuan Li, Emil Alexov

10841
- PDF
- Article Code Repository

Vol. 1 No. 2 (2019)

Articles

Lessons Learned from the Calculation of One-Dimensional Potentials of Mean Force [Article v1.0]

Lessons learned in atomistic simulation of double-stranded DNA: Solvation and salt concerns [Article v1.0]

Raising the Performance of the Tinker-HP Molecular Modeling Package [Article v1.0]

A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]

Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1.0]

Information

Browse

browsebyissue

twitterfeed