Journal of Computational Chemistry

Cover image for Vol. 35 Issue 25

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

Impact Factor: 3.601

ISI Journal Citation Reports © Ranking: 2013: 36/148 (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 July 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.

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

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

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

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

Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: Implications to reactivity and relevance to the nitrogenase problem [Article]
Felix Studt and Felix Tuczek
Journal of Computational Chemistry, 2006, 27(12), 1278–1291
DOI: 10.1002/jcc.20413

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

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations [Software News and Updates]
Naveen Michaud-Agrawal, Elizabeth J. Denning, Thomas B. Woolf and Oliver Beckstein
Journal of Computational Chemistry, 2011, 32(10), 2319–2327
DOI: 10.1002/jcc.21787

Toward a physical understanding of electron-sharing two-center bonds. I. General aspects [Article]
T. Bitter, K. Ruedenberg and W. H. E. Schwarz
Journal of Computational Chemistry, 2007, 28(1), 411–422
DOI: 10.1002/jcc.20531

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