Urmi R. Doshi, Ph.D.

2007 Biochemistry University of Maryland, College Park, College Park, MD 
General Biophysics, Biochemistry, Bioinformatics Biology
"Urmi Doshi"
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Victor Munoz grad student 2007 University of Maryland
 (One-dimensional free energy surface models of protein folding: Connecting theory and experiments.)
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Doshi U, Holliday MJ, Eisenmesser EZ, et al. (2016) Dynamical network of residue-residue contacts reveals coupled allosteric effects in recognition, catalysis, and mutation. Proceedings of the National Academy of Sciences of the United States of America. 113: 4735-40
Rodriguez-Bussey IG, Doshi U, Hamelberg D. (2016) Enhanced molecular dynamics sampling of drug target conformations. Biopolymers. 105: 35-42
Doshi U, Hamelberg D. (2015) Towards fast, rigorous and efficient conformational sampling of biomolecules: Advances in accelerated molecular dynamics. Biochimica Et Biophysica Acta. 1850: 878-88
Doshi U, Hamelberg D. (2014) Achieving Rigorous Accelerated Conformational Sampling in Explicit Solvent. The Journal of Physical Chemistry Letters. 5: 1217-24
Doshi U, Hamelberg D. (2014) The dilemma of conformational dynamics in enzyme catalysis: perspectives from theory and experiment. Advances in Experimental Medicine and Biology. 805: 221-43
Doshi U, Hamelberg D. (2012) Improved Statistical Sampling and Accuracy with Accelerated Molecular Dynamics on Rotatable Torsions. Journal of Chemical Theory and Computation. 8: 4004-12
Doshi U, McGowan LC, Ladani ST, et al. (2012) Resolving the complex role of enzyme conformational dynamics in catalytic function. Proceedings of the National Academy of Sciences of the United States of America. 109: 5699-704
Doshi U, Hamelberg D. (2011) Extracting Realistic Kinetics of Rare Activated Processes from Accelerated Molecular Dynamics Using Kramers' Theory. Journal of Chemical Theory and Computation. 7: 575-81
Johnson Q, Doshi U, Shen T, et al. (2010) Water's Contribution to the Energetic Roughness from Peptide Dynamics. Journal of Chemical Theory and Computation. 6: 2591-7
Xin Y, Doshi U, Hamelberg D. (2010) Examining the limits of time reweighting and Kramers' rate theory to obtain correct kinetics from accelerated molecular dynamics. The Journal of Chemical Physics. 132: 224101
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