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Urmi Doshi
Urmi Doshi
Senior Research Associate
Verified email at gsu.edu
Title
Cited by
Cited by
Year
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
1562016
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
1312007
Dynamics, energetics, and structure in protein folding
AN Naganathan, U Doshi, A Fung, M Sadqi, V Muñoz
Biochemistry 45 (28), 8466-8475, 2006
1052006
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
922009
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
842009
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
812012
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
632005
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
622015
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
502004
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
362012
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
342010
Protein folding, misfolding and aggregation: Classical themes and novel approaches
V Muñoz
Royal Society of Chemistry, 2008
342008
Enhanced molecular dynamics sampling of drug target conformations
IG Rodriguez‐Bussey, U Doshi, D Hamelberg
Biopolymers 105 (1), 35-42, 2016
312016
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
312010
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
312004
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
302011
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
272012
Achieving rigorous accelerated conformational sampling in explicit solvent
U Doshi, D Hamelberg
The Journal of Physical Chemistry Letters 5 (7), 1217-1224, 2014
242014
The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from Theory and Experiment
U Doshi, D Hamelberg
Protein Conformational Dynamics, 221-243, 2014
122014
Kinetics and mechanisms of a-helix formation
U DOSHI
Protein Folding, Misfolding and Aggregation: Classical Themes and Novel …, 2008
22008
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