| 1 |
Substrate Sequence Determines Catalytic Activities, Domain-Binding Preferences, and Allosteric Mechanisms in Pin1
Momin M, Yao XQ, Thor W, Hamelberg D
Journal of Physical Chemistry B, 122(25), 6521, 2018 |
| 2 |
Decoding Allosteric Communication Pathways in Cyclophilin A with a Comparative Analysis of Perturbed Conformational Ensembles
Rodriguez-Bussey I, Yao XQ, Shouaib AD, Lopez J, Hamelberg D
Journal of Physical Chemistry B, 122(25), 6528, 2018 |
| 3 |
Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic Perspective
Momin M, Xin Y, Hamelberg D
Journal of Physical Chemistry B, 121(25), 6131, 2017 |
| 4 |
Coupled Dynamics and Entropic Contribution to the Allosteric Mechanism of Pin1
Barman A, Hamelberg D
Journal of Physical Chemistry B, 120(33), 8405, 2016 |
| 5 |
Conformation-Directed Catalysis and Coupled Enzyme-Substrate Dynamics in Pin1 Phosphorylation-Dependent Cis-Trans Isomerase
Velazquez HA, Hamelberg D
Journal of Physical Chemistry B, 117(39), 11509, 2013 |
| 6 |
Entropic and Surprisingly Small Intramolecular Polarization Effects in the Mechanism of Cyclophilin A
Ladani ST, Hamelberg D
Journal of Physical Chemistry B, 116(35), 10771, 2012 |
| 7 |
Insights on the Mechanism of Amine Oxidation Catalyzed by D-Arginine Dehydrogenase Through pH and Kinetic Isotope Effects
Yuan HL, Xin Y, Hamelberg D, Gadda G
Journal of the American Chemical Society, 133(46), 18957, 2011 |
| 8 |
Reoptimization of the AMBER Force Field Parameters for Peptide Bond (Omega) Torsions Using Accelerated Molecular Dynamics
Doshi U, Hamelberg D
Journal of Physical Chemistry B, 113(52), 16590, 2009 |
| 9 |
Mechanistic Insight into the Role of Transition-State Stabilization in Cyclophilin A
Hamelberg D, McCammon A
Journal of the American Chemical Society, 131(1), 147, 2009 |
| 10 |
On the application of accelerated molecular dynamics to liquid water simulations
de Oliveira CAF, Hamelberg D, McCammon JA
Journal of Physical Chemistry B, 110(45), 22695, 2006 |
