| Dynamical network of residue–residue contacts reveals coupled allosteric effects in recognition, catalysis, and mutation U Doshi, MJ Holliday, EZ Eisenmesser, D Hamelberg Proceedings of the National Academy of Sciences 113 (17), 4735-4740, 2016 | 158 | 2016 |
| Protein folding kinetics: Barrier effects in chemical and thermal denaturation experiments AN Naganathan, U Doshi, V Muñoz Journal of the American Chemical Society 129 (17), 5673-5682, 2007 | 131 | 2007 |
| Dynamics, energetics, and structure in protein folding AN Naganathan, U Doshi, A Fung, M Sadqi, V Muñoz Biochemistry 45 (28), 8466-8475, 2006 | 103 | 2006 |
| Reoptimization of the AMBER force field parameters for peptide bond (Omega) torsions using accelerated molecular dynamics U Doshi, D Hamelberg The Journal of Physical Chemistry B 113 (52), 16590-16595, 2009 | 93 | 2009 |
| Protein folding rates and stability: how much is there beyond size? D De Sancho, U Doshi, V Munoz Journal of the American Chemical Society 131 (6), 2074-2075, 2009 | 86 | 2009 |
| Resolving the complex role of enzyme conformational dynamics in catalytic function U Doshi, LC McGowan, ST Ladani, D Hamelberg Proceedings of the National Academy of Sciences 109 (15), 5699-5704, 2012 | 82 | 2012 |
| Role for the α-helix in aberrant protein aggregation R Kunjithapatham, FY Oliva, U Doshi, M Pérez, J Ávila, V Muñoz Biochemistry 44 (1), 149-156, 2005 | 65 | 2005 |
| Towards fast, rigorous and efficient conformational sampling of biomolecules: advances in accelerated molecular dynamics U Doshi, D Hamelberg Biochimica et Biophysica Acta (BBA)-General Subjects 1850 (5), 878-888, 2015 | 64 | 2015 |
| The principles of α-helix formation: Explaining complex kinetics with nucleation-elongation theory UR Doshi, V Muñoz The Journal of Physical Chemistry B 108 (24), 8497-8506, 2004 | 51 | 2004 |
| Protein folding, misfolding and aggregation: Classical themes and novel approaches V Muñoz Royal Society of Chemistry, 2008 | 38 | 2008 |
| Improved Statistical Sampling and Accuracy with Accelerated Molecular Dynamics on Rotatable Torsions U Doshi, D Hamelberg Journal of Chemical Theory and Computation 8 (11), 4004-4012, 2012 | 36 | 2012 |
| Enhanced molecular dynamics sampling of drug target conformations IG Rodriguez‐Bussey, U Doshi, D Hamelberg Biopolymers 105 (1), 35-42, 2016 | 34 | 2016 |
| Examining the limits of time reweighting and Kramers’ rate theory to obtain correct kinetics from accelerated molecular dynamics Y Xin, U Doshi, D Hamelberg The Journal of chemical physics 132 (22), 224101, 2010 | 34 | 2010 |
| Water’s contribution to the energetic roughness from peptide dynamics Q Johnson, U Doshi, T Shen, D Hamelberg Journal of Chemical Theory and Computation 6 (9), 2591-2597, 2010 | 31 | 2010 |
| Kinetics of α-helix formation as diffusion on a one-dimensional free energy surface U Doshi, V Munoz Chemical physics 307 (2-3), 129-136, 2004 | 31 | 2004 |
| Extracting realistic kinetics of rare activated processes from accelerated molecular dynamics using Kramers’ theory U Doshi, D Hamelberg Journal of Chemical Theory and Computation 7 (3), 575-581, 2011 | 30 | 2011 |
| Atomic-level insights into metabolite recognition and specificity of the SAM-II riboswitch U Doshi, JM Kelley, D Hamelberg RNA 18 (2), 300-307, 2012 | 26 | 2012 |
| Achieving rigorous accelerated conformational sampling in explicit solvent U Doshi, D Hamelberg The Journal of Physical Chemistry Letters 5 (7), 1217-1224, 2014 | 24 | 2014 |
| The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from Theory and Experiment U Doshi, D Hamelberg Protein Conformational Dynamics, 221-243, 2014 | 12 | 2014 |
| Kinetics and mechanisms of a-helix formation U DOSHI Protein Folding, Misfolding and Aggregation: Classical Themes and Novel …, 2008 | 2* | 2008 |
