Journal of Computational Chemistry

Cover image for Vol. 35 Issue 23

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 June 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


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


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


Visualizing energy landscapes with metric disconnectivity graphs [Full Paper]
Lewis C. Smeeton, Mark T. Oakley and Roy L. Johnston
Journal of Computational Chemistry, 2014, 35(20), 1481–1490
DOI: 10.1002/jcc.23643


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


Ab–initio simulations of materials using VASP: Density–functional theory and beyond [Article]

Journal of Computational Chemistry, 2008, 29(13), 2044–2078
DOI: 10.1002/jcc.21057


Rapid parameterization of small molecules using the force field toolkit [Full Paper]
Christopher G. Mayne, Jan Saam, Klaus Schulten, Emad Tajkhorshid and James C. Gumbart
Journal of Computational Chemistry, 2013, 34(32), 2757–2770
DOI: 10.1002/jcc.23422


PaDEL–descriptor: An open source software to calculate molecular descriptors and fingerprints [Software News and Updates]
Chun Wei Yap
Journal of Computational Chemistry, 2011, 32(7), 1466–1474
DOI: 10.1002/jcc.21707


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


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