| Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks NV Plotnikov, SCL Kamerlin, A Warshel The Journal of Physical Chemistry B 115 (24), 7950-7962, 2011 | 108 | 2011 |
| Quantitative exploration of the molecular origin of the activation of GTPase BR Prasad, NV Plotnikov, J Lameira, A Warshel Proceedings of the National Academy of Sciences 110 (51), 20509-20514, 2013 | 90* | 2013 |
| Addressing open questions about phosphate hydrolysis pathways by careful free energy mapping BR Prasad, NV Plotnikov, A Warshel The Journal of Physical Chemistry B 117 (1), 153-163, 2013 | 70 | 2013 |
| Exploring, refining, and validating the paradynamics QM/MM sampling NV Plotnikov, A Warshel The Journal of Physical Chemistry B 116 (34), 10342-10356, 2012 | 65 | 2012 |
| Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces NV Plotnikov, BR Prasad, S Chakrabarty, ZT Chu, A Warshel The Journal of Physical Chemistry B 117 (42), 12807-12819, 2013 | 58 | 2013 |
| Biopharmaceutical Informatics: supporting biologic drug development via molecular modelling and informatics S Kumar, NV Plotnikov, JC Rouse, SK Singh Journal of Pharmacy and Pharmacology 70 (5), 595-608, 2018 | 41 | 2018 |
| Identification of quinoline-based RIP2 kinase inhibitors with an improved therapeutic index to the hERG ion channel PA Haile, LN Casillas, MJ Bury, JF Mehlmann, R Singhaus Jr, ... ACS Medicinal Chemistry Letters 9 (10), 1039-1044, 2018 | 32 | 2018 |
| Quantifying the risks of asparagine deamidation and aspartate isomerization in biopharmaceuticals by computing reaction free-energy surfaces NV Plotnikov, SK Singh, JC Rouse, S Kumar The Journal of Physical Chemistry B 121 (4), 719-730, 2017 | 32 | 2017 |
| Molecular origin of mechanical sensitivity of the reaction rate in anthracene cyclophane isomerization reveals structural motifs for rational design of mechanophores NV Plotnikov, TJ Martinez The Journal of Physical Chemistry C 120 (32), 17898-17908, 2016 | 18 | 2016 |
| Molaris-Xg A Warshel, ZT Chu, J Villa, M Strajbl, CN Schutz, A Shurki, S Vicatos, ... University of Southern California: Los Angeles, CA, 2012 | 15 | 2012 |
| Molecular thermodynamic modeling of the morphology transitions in a solution of a diblock copolymer containing a weak polyelectrolyte chain AI Victorov, NV Plotnikov, PD Hong The Journal of Physical Chemistry B 114 (27), 8846-8860, 2010 | 14 | 2010 |
| Computing the free energy barriers for less by sampling with a coarse reference potential while retaining accuracy of the target fine model NV Plotnikov Journal of Chemical Theory and Computation 10 (8), 2987-3001, 2014 | 13 | 2014 |
| Mesoscale morphology and dissociation equilibrium in pH-sensitive block copolymer gels N Plotnikov, A Victorov Fluid phase equilibria 261 (1-2), 26-34, 2007 | 9 | 2007 |
| Identification and Optimization of RNA-Splicing Modulators as Huntingtin Protein-Lowering Agents for the Treatment of Huntington’s Disease L Liu, K Malagu, AF Haughan, V Khetarpal, AJ Stott, W Esmieu, HD Vater, ... Journal of Medicinal Chemistry 66 (18), 13205-13246, 2023 | 6 | 2023 |
| Pressure-induced neutral-to-ionic transition in an amorphous organic material Y Ren, S Lee, JM Christensen, NV Plotnikov, M Burgess, TJ Martínez, ... Chemistry of Materials 28 (18), 6446-6449, 2016 | 5 | 2016 |
| Conformational dynamics and DNA recognition by human MutSβ JH Lee, M Thomsen, H Daub, SC Steinbacher, A Sztyler, ... BioRxiv, 2023.05. 08.539930, 2023 | 3 | 2023 |
| Correction to identification of quinoline-based RIP2 kinase inhibitors with an improved therapeutic index to the hERG ion channel PA Haile, LN Casillas, MJ Bury, JF Mehlmann, R Singhaus Jr, ... ACS Medicinal Chemistry Letters 11 (6), 1353-1353, 2020 | 3 | 2020 |
| Advancing ab initio QM/MM Free Energy Calculations: Refining, Validating and Quantifying the Reference Potential Approach NV Plotnikov University of Southern California, 2013 | 1 | 2013 |
| Studying catalysis by QM/MM approaches should not be a black box process R Prasad, L Kamerlin, N Plotnikov, A Warshel Thermodynamics and Catalysis 3, 4, 2012 | 1 | 2012 |
| Identification of orthosteric inhibitors of MutSbeta ATPase function G Brace, K Tillack, P Johnson, M Ritzefeld, S Schaertl, E Frush, B Warfield, ... | | 2024 |
Shina Caroline Lynn KamerlinGeorgia Institute of Technology在 gatech.edu 的电子邮件经过验证
