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Journal of Chemical Theory and Computation|November 29, 2015
Free Energy Barriers for the N-Terminal Asparagine to Succinimide Conversion: Quantum Molecular Dynamics Simulations for the Fully Solvated ModelIlya Kaliman, Alexander Nemukhin, Sergei VarfolomeevPhysical Chemistry Chemical Physics : PCCP|June 10, 2009
Opening the Arg-Glu salt bridge in myosin: computational studyIlya Kaliman, Bella Grigorenko, Maria Shadrina, et al.The Journal of Physical Chemistry. B|June 18, 2016
Extension of the Effective Fragment Potential Method to MacromoleculesPradeep Kumar Gurunathan, Atanu Acharya, Debashree Ghosh, et al.Journal of Computational Chemistry|October 26, 2013
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculationsEvgeny Epifanovsky, Michael Wormit, Tomasz Kuś, et al.Journal of Computational Chemistry|January 16, 2013
Effective fragment potential method in Q-CHEM: a guide for users and developersDebashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 1