| Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras‐GAP proteins as rationalized by ab initio QM/MM simulations BL Grigorenko, AV Nemukhin, MS Shadrina, IA Topol, SK Burt Proteins: Structure, Function, and Bioinformatics 66 (2), 456-466, 2007 | 110 | 2007 |
| Mechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor Tu BL Grigorenko, MS Shadrina, IA Topol, JR Collins, AV Nemukhin Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1784 (12), 1908-1917, 2008 | 39 | 2008 |
| Effective Simulations of Gas Diffusion Through Kinetically Accessible Tunnels in Multisubunit Proteins: O2 Pathways and Escape Routes in T-state Deoxyhemoglobin MS Shadrina, AM English, GH Peslherbe Journal of the American Chemical Society 134 (27), 11177-11184, 2012 | 35 | 2012 |
| O2 and Water Migration Pathways between the Solvent and Heme Pockets of Hemoglobin with Open and Closed Conformations of the Distal HisE7 MS Shadrina, GH Peslherbe, AM English Biochemistry 54 (34), 5279-5289, 2015 | 14 | 2015 |
| Quaternary-Linked Changes in Structure and Dynamics That Modulate O2 Migration within Hemoglobin’s Gas Diffusion Tunnels MS Shadrina, GH Peslherbe, AM English Biochemistry 54 (34), 5268-5278, 2015 | 14 | 2015 |
| Opening the Arg-Glu salt bridge in myosin: computational study I Kaliman, B Grigorenko, M Shadrina, A Nemukhin Physical Chemistry Chemical Physics 11 (24), 4804-4807, 2009 | 11 | 2009 |
| Burden of cardiomyopathic genetic variation in lethal pediatric myocarditis AR Kontorovich, Y Tang, N Patel, Z Georgievskaya, M Shadrina, ... Circulation: Genomic and Precision Medicine 14 (4), e003426, 2021 | 7 | 2021 |
| Benchmarking Rapid TLES Simulations of Gas Diffusion in Proteins: Mapping O2 Migration and Escape in Myoglobin as a Case Study MS Shadrina, AM English, GH Peslherbe Journal of Chemical Theory and Computation 12 (4), 2038-2046, 2016 | 6 | 2016 |
| A GCC repeat expansion in AFF3 is a significant cause of intellectual disability. B Jadhav, P Garg, J van Vugt, KI Garikano, D Gagliardi, W Lee, ... Medrxiv: the Preprint Server for Health Sciences, 2023 | 5* | 2023 |
| Simulated 18O kinetic isotope effects in enzymatic hydrolysis of guanosine triphosphate AV Nemukhin, MS Shadrina, BL Grigorenko, X Du Biochemistry (Moscow) 74 (9), 1044-1048, 2009 | 5 | 2009 |
| Concerted millisecond timescale dynamics in the intrinsically disordered carboxyl terminus of γ‐tubulin induced by mutation of a conserved tyrosine residue J Harris, M Shadrina, C Oliver, J Vogel, A Mittermaier Protein Science 27 (2), 531-545, 2018 | 4 | 2018 |
| Features of Vascular Ehlers-Danlos Syndrome Among Biobank Participants Harboring Predicted High-Risk COL3A1 Genotypes MM Lui, M Shadrina, BD Gelb, AR Kontorovich Circulation: Genomic and Precision Medicine 16 (2), e003864, 2023 | 3 | 2023 |
| Mechanisms of enzymatic hydrolysis of nucleoside triphosphates by quantum and molecular mechanics AV Nemukhin, BL Grigorenko, MS Shadrina Russian Journal of General Chemistry 78 (4), 696-703, 2008 | 2 | 2008 |
| A phenome-wide association study of tandem repeat variation in 168,554 individuals from the UK Biobank C Manigbas, B Jadhav, P Garg, M Shadrina, W Lee, A Martin-Trujillo, ... medRxiv, 2024.01. 22.24301630, 2024 | 1 | 2024 |
| Structure of the enzyme-substrate complex for guanosine triphosphate hydrolysis by elongation factor EF-Tu: Comparison of quantum mechanics/molecular mechanics and molecular … MS Shadrina, BL Grigorenko, AV Nemukhin Moscow University Chemistry Bulletin 63 (6), 321-323, 2008 | 1 | 2008 |
| Enzyme-substrate structure for the guanosine triphosphate hydrolysis by the elongation factor EF-Tu: comparison of the results of quantum and molecular mechanics and molecular … MS Shadrina, BL Grigorenko, AV Nemukhin Moscow University Chemistry Bulletin 49 (6), 389, 2008 | 1 | 2008 |
| Automated Identification of Germline de novo Mutations in Family Trios: A Consensus-Based Informatic Approach M Shadrina, O Kalay, S Demirkaya-Budak, CA LeDuc, WK Chung, ... bioRxiv, 2024.03. 08.584100, 2024 | | 2024 |
| Human Hemoglobin Possesses a Highly Efficient Pathway for Intramolecular NO Diffusion from the beta-Hemes to Surface Cys beta 93 MS Shadrina, AM English, GH Peslherbe FREE RADICAL BIOLOGY AND MEDICINE 53, S186-S187, 2012 | | 2012 |
| LT Bugaenko, SM Ryabykh, AL Bugaenko AM Banaru, MS Shadrina, BL Grigorenko, AV Nemukhin, PA Golubev, ... Moscow University Chemistry Bulletin 49 (6), 2008 | | 2008 |
| Molecular docking of guanosine nucleotide derivatives in GTP-binding proteins MS Shadrina, AV Rogov, KB Bravaya, AV Nemukhin Moscow University Chemistry Bulletin 46 (6), 363, 2005 | | 2005 |
