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Journal of Chemical Theory and Computation|August 20, 2014
Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine ModelNikolay V Plotnikov
The Journal of Physical Chemistry. B|August 3, 2012
Exploring, refining, and validating the paradynamics QM/MM samplingNikolay V Plotnikov, Arieh Warshel
The Journal of Physical Chemistry. B|December 4, 2012
Addressing open questions about phosphate hydrolysis pathways by careful free energy mappingB Ram Prasad, Nikolay V Plotnikov, Arieh Warshel
The Journal of Physical Chemistry. B|June 22, 2010
Molecular thermodynamic modeling of the morphology transitions in a solution of a diblock copolymer containing a weak polyelectrolyte chainAlexey I Victorov, Nikolay V Plotnikov, Po-Da Hong
The Journal of Physical Chemistry. B|May 31, 2011
Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasksNikolay V Plotnikov, Shina C L Kamerlin, Arieh Warshel
Proceedings of the National Academy of Sciences of the United States of America|November 28, 2013
Quantitative exploration of the molecular origin of the activation of GTPaseRam Prasad B, Nikolay V Plotnikov, Jeronimo Lameira, et al.
The Journal of Physical Chemistry. B|January 5, 2017
Quantifying the Risks of Asparagine Deamidation and Aspartate Isomerization in Biopharmaceuticals by Computing Reaction Free-Energy SurfacesNikolay V Plotnikov, Satish Kumar Singh, Jason C Rouse, et al.
The Journal of Pharmacy and Pharmacology|February 4, 2017
Biopharmaceutical Informatics: supporting biologic drug development via molecular modelling and informaticsSandeep Kumar, Nikolay V Plotnikov, Jason C Rouse, et al.
The Journal of Physical Chemistry. B|April 23, 2013
Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfacesNikolay V Plotnikov, B Ram Prasad, Suman Chakrabarty, et al.
Nucleic Acids Research|July 4, 2025
Elucidation of multiple high-resolution states of human MutSβ by cryo-EM reveals interplay between ATP/ADP binding and heteroduplex DNA recognitionJung-Hoon Lee, Maren Thomsen, Herwin Daub, et al.
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