Journal of Computational Chemistry

Cover image for Vol. 35 Issue 14

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 Cited


Articles on this list are the most frequently cited ones among those published in 2010 or 2011. Data derived from Thomson Reuters© Web of Science.


Trott, O; Olson, AJ
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
JOURNAL OF COMPUTATIONAL CHEMISTRY JAN 30, vol. 2010, pp.

Aquilante, F; De Vico, L; Ferre, N; Ghigo, G; Malmqvist, PA; Neogrady, P; Pedersen, TB; Pitonak, M; Reiher, M; Roos, BO; Serrano-Andres, L; Urban, M; Veryazov, V; Lindh, R
Software News and Update MOLCAS 7: The Next Generation
JOURNAL OF COMPUTATIONAL CHEMISTRY JAN 15, vol. 2010, pp.

Vanommeslaeghe, K; Hatcher, E; Acharya, C; Kundu, S; Zhong, S; Shim, J; Darian, E; Guvench, O; Lopes, P; Vorobyov, I; MacKerell, AD
CHARMM General Force Field: A Force Field for Drug-Like Molecules Compatible with the CHARMM All-Atom Additive Biological Force Fields
JOURNAL OF COMPUTATIONAL CHEMISTRY MAR, vol. 2010, pp.

Allouche, AR
Gabedit-A Graphical User Interface for Computational Chemistry Softwares
JOURNAL OF COMPUTATIONAL CHEMISTRY JAN 15, vol. 2011, pp.

Grimme, S; Ehrlich, S; Goerigk, L
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
JOURNAL OF COMPUTATIONAL CHEMISTRY MAY, vol. 2011, pp.

Christ, CD; Mark, AE; van Gunsteren, WF
Feature Article Basic Ingredients of Free Energy Calculations: A Review
JOURNAL OF COMPUTATIONAL CHEMISTRY JUN, vol. 2010, pp.

Rastelli, G; Del Rio, A; Degliesposti, G; Sgobba, M
Fast and Accurate Predictions of Binding Free Energies Using MM-PBSA and MM-GBSA
JOURNAL OF COMPUTATIONAL CHEMISTRY MAR, vol. 2010, pp.

Black, G; Simmie, JM
Barrier Heights for H-Atom Abstraction by H(O)over dot(2) from n-Butanol-A Simple Yet Exacting Test for Model Chemistries?
JOURNAL OF COMPUTATIONAL CHEMISTRY APR 30, vol. 2010, pp.

Zadeh, JN; Steenberg, CD; Bois, JS; Wolfe, BR; Pierce, MB; Khan, AR; Dirks, RM; Pierce, NA
NUPACK: Analysis and Design of Nucleic Acid Systems
JOURNAL OF COMPUTATIONAL CHEMISTRY JAN 15, vol. 2011, pp.

Plewczynski, D; Lazniewski, M; Augustyniak, R; Ginalski, K
Can We Trust Docking Results? Evaluation of Seven Commonly Used Programs on PDBbind Database
JOURNAL OF COMPUTATIONAL CHEMISTRY MAR, vol. 2011, pp.

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