Journal of Computational Chemistry

Cover image for Vol. 35 Issue 13

Edited By: Charles L. Brooks III, Masahiro Ehara, Gernot Frenking, and Peter R. Schreiner

Impact Factor: 3.835

ISI Journal Citation Reports © Ranking: 2012: 34/152 (Chemistry Multidisciplinary)

Online ISSN: 1096-987X

Associated Title(s): International Journal of Quantum Chemistry, Wiley Interdisciplinary Reviews: Computational Molecular Science

Most Accessed


These are the 10 most-accessed articles in the Journal of Computational Chemistry for January 2014 compiled from the most recent available usage data in rank order. The Data comes from Wiley Online Library usage statistics of downloads by subscribers to the Journal of both PDF and HTML versions of the articles.



Semiempirical GGA–type density functional constructed with a long–range dispersion correction [Article]
Stefan Grimme
Journal of Computational Chemistry, 2006, 27(15), 1787–1799
DOI: 10.1002/jcc.20495


SSC: A tool for constructing libraries for systematic screening of conformers [Software News and Updates]
Sanliang Ling and Maciej Gutowski
Journal of Computational Chemistry, 2011, 32(9), 2047–2054
DOI: 10.1002/jcc.21774


Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force [Full Paper]
Hugh S. C. Martin, Shantenu Jha and Peter V. Coveney
Journal of Computational Chemistry, 2014, 35(9), 692–702
DOI: 10.1002/jcc.23525


AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading [Software News and Updates]
Oleg Trott and Arthur J. Olson
Journal of Computational Chemistry, 2010, 31(2), 455–461
DOI: 10.1002/jcc.21334


New faster CHARMM molecular dynamics engine [Software News and Updates]
Antti-Pekka Hynninen and Michael F. Crowley
Journal of Computational Chemistry, 2014, 35(5), 406–413
DOI: 10.1002/jcc.23501


Scalable molecular dynamics with NAMD [Article]
James C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kalé and Klaus Schulten
Journal of Computational Chemistry, 2005, 26(16), 1781–1802
DOI: 10.1002/jcc.20289


Development and testing of a general amber force field [Article]
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman and David A. Case
Journal of Computational Chemistry, 2004, 25(9), 1157–1174
DOI: 10.1002/jcc.20035


AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility [Software News and Updates]
Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell and Arthur J. Olson
Journal of Computational Chemistry, 2009, 30(16), 2785–2791
DOI: 10.1002/jcc.21256


UCSF Chimera–A visualization system for exploratory research and analysis [Article]
Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang, Gregory S. Couch, Daniel M. Greenblatt, Elaine C. Meng and Thomas E. Ferrin
Journal of Computational Chemistry, 2004, 25(13), 1605–1612
DOI: 10.1002/jcc.20084


A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6 [Article]
Chris Oostenbrink, Alessandra Villa, Alan E. Mark and Wilfred F. Van Gunsteren
Journal of Computational Chemistry, 2004, 25(13), 1656–1676
DOI: 10.1002/jcc.20090


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