ScholarIQanswers from OpenAlex
Journal of Computational Chemistry
JournalCitation impact & published research
Journal of Computational Chemistry is a journal indexed in ScholarIQ from OpenAlex.
What is the OpenAlex record for Journal of Computational Chemistry?
ScholarIQopenalex
The OpenAlex for Journal of Computational Chemistry is on the source record.
What are the most-cited papers on Journal of Computational Chemistry?
ScholarIQmost cited works
The Amber biomolecular simulation programs
David A. Case, Thomas E. Cheatham, Tom Darden, Holger Gohlke, Ray Luo, Kenneth M. Merz, Alexey V. Onufriev, Carlos Simmerling, Bing Wang, Robert J. Woods
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Tai‐Sung Lee, James W. Caldwell, Junmei Wang, Peter A. Kollman
Q-Chem 2.0: a high-performanceab initio electronic structure program package
Jing Kong, Christopher A. White, Anna I. Krylov, C. David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David Maurice, Nikhil U. Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Wei-Min Zhang, Prakashan Korambath, Jon Baker, Edward F. C. Byrd, Troy Van Voorhis, Manabu Oumi, So Hirata, Chao‐Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head‐Gordon, John A. Pople
Accelerated Poisson–Boltzmann calculations for static and dynamic systems
Ray Luo, Laurent David, Michael K. Gilson
Calculating protein–ligand binding affinities with MMPBSA: Method and error analysis
Changhao Wang, Peter H. Nguyen, Kevin Pham, Danielle Huynh, Thanh‐Binh Nancy Le, Hongli Wang, Pengyu Ren, Ray Luo