Publications by authors named "Nikolay V Plotnikov"

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Orthosteric inhibition of MutSβ ATPase function: First disclosure of MSH3-bound small molecule inhibitors.
Gareth N Brace, Karsten Tillack, Peter D Johnson, Markus Ritzefeld, Sabine Schaertl, Nikolay V Plotnikov

Bioorg Med Chem Lett· December 2025

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Elucidation of multiple high-resolution states of human MutSβ by cryo-EM reveals interplay between ATP/ADP binding and heteroduplex DNA recognition.
Jung-Hoon Lee, Maren Thomsen, Herwin Daub, Gabriel Thieulin-Pardo, Stefan Steinbacher, Nikolay V Plotnikov

Nucleic Acids Res· June 2025

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Identification and Optimization of RNA-Splicing Modulators as Huntingtin Protein-Lowering Agents for the Treatment of Huntington's Disease.
Longbin Liu, Karine Malagu, Alan F Haughan, Vinod Khetarpal, Andrew J Stott, Nikolay V Plotnikov

J Med Chem· September 2023

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Correction to Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
Pamela A Haile, Linda N Casillas, Michael J Bury, John F Mehlmann, Robert Singhaus, Nikolay V Plotnikov

ACS Med Chem Lett· June 2020

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Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
Pamela A Haile, Linda N Casillas, Michael J Bury, John F Mehlmann, Robert Singhaus, Nikolay V Plotnikov

ACS Med Chem Lett· October 2018

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Biopharmaceutical Informatics: supporting biologic drug development via molecular modelling and informatics.
Sandeep Kumar, Nikolay V Plotnikov, Jason C Rouse, Satish K Singh

J Pharm Pharmacol· May 2018

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Quantifying the Risks of Asparagine Deamidation and Aspartate Isomerization in Biopharmaceuticals by Computing Reaction Free-Energy Surfaces.
Nikolay V Plotnikov, Satish Kumar Singh, Jason C Rouse, Sandeep Kumar

J Phys Chem B· February 2017

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Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine Model.
Nikolay V Plotnikov

J Chem Theory Comput· August 2014

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Quantitative exploration of the molecular origin of the activation of GTPase.
Ram Prasad B, Nikolay V Plotnikov, Jeronimo Lameira, Arieh Warshel

Proc Natl Acad Sci U S A· December 2013

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Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces.
Nikolay V Plotnikov, B Ram Prasad, Suman Chakrabarty, Zhen T Chu, Arieh Warshel

J Phys Chem B· October 2013

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Addressing open questions about phosphate hydrolysis pathways by careful free energy mapping.
B Ram Prasad, Nikolay V Plotnikov, Arieh Warshel

J Phys Chem B· January 2013

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Exploring, refining, and validating the paradynamics QM/MM sampling.
Nikolay V Plotnikov, Arieh Warshel

J Phys Chem B· August 2012

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Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks.
Nikolay V Plotnikov, Shina C L Kamerlin, Arieh Warshel

J Phys Chem B· June 2011

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Molecular thermodynamic modeling of the morphology transitions in a solution of a diblock copolymer containing a weak polyelectrolyte chain.
Alexey I Victorov, Nikolay V Plotnikov, Po-Da Hong

J Phys Chem B· July 2010

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