Journal of Computational Chemistry

Cover image for Vol. 36 Issue 2

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 Cited


Articles on this list are the most frequently cited ones among those published in 2011 or 2012. They have contributed the most to the journal's impact factor in 2013.


Stefan Grimme, Stephan Ehrlich and Lars Goerigk
Effect of the damping function in dispersion corrected density functional theory
Journal of Computational Chemistry 2011, vol. 32, pp. 1456-1465

Tian Lu and Feiwu Chen
Multiwfn: A multifunctional wavefunction analyzer
Journal of Computational Chemistry 2012, vol. 33, pp. 580-592

Abdul-Rahman Allouche
Gabedit—A graphical user interface for computational chemistry softwares
Journal of Computational Chemistry 2011, vol. 32, pp. 174-182

Chun Wei Yap
PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
Journal of Computational Chemistry 2011, vol. 32, pp. 1466-1474

Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier and Olivier Michielin
SwissParam: A fast force field generation tool for small organic molecules
Journal of Computational Chemistry 2011, vol. 32, pp. 2359-2368

ingjun Hou, Junmei Wang, Youyong Li and Wei Wang
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking
Journal of Computational Chemistry 2011, vol. 32, pp. 866-877

Dongsheng Zou, Zhongshi He, Jingyuan He and Yuxian Xia
Supersecondary structure prediction using Chou's pseudo amino acid composition
Journal of Computational Chemistry 2011, vol. 32, pp. 271-278

Joseph N. Zadeh, Conrad D. Steenberg, Justin S. Bois, Brian R. Wolfe, Marshall B. Pierce, Asif R. Khan, Robert M. Dirks and Niles A. Pierce
NUPACK: Analysis and design of nucleic acid systems
Journal of Computational Chemistry 2011, vol. 32, pp. 170-173

Naveen Michaud-Agrawal, Elizabeth J. Denning, Thomas B. Woolf and Oliver Beckstein
MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
Journal of Computational Chemistry 2011, vol. 32, pp. 2319-2327

Mahmoud A. A. Ibrahim
Molecular mechanical study of halogen bonding in drug discovery
Journal of Computational Chemistry 2011, vol. 32, pp. 2564-2574

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