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Journal Article (13)
1.
Journal Article
124 (20), pp. 4097 - 4113 (2020)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. The Journal of Physical Chemistry B 2.
Journal Article
153 (21), 0031249 (2020)
Coarse-grained conformational surface hopping: Methodology and transferability. The Journal of Chemical Physics 3.
Journal Article
7 (3), 42 (2019)
Recent Progress towards Chemically-Specific Coarse-Grained Simulation Models with Consistent Dynamical Properties. Computation 4.
Journal Article
150 (2), 024102 (2019)
Automated detection of many-particle solvation states for accurate characterizations of diffusion kinetics. The Journal of Chemical Physics 5.
Journal Article
151 (24), 244110 (2019)
Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of Chemical Physics 6.
Journal Article
121 (25), 256002 (2018)
Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing Dynamics. Physical Review Letters 7.
Journal Article
122 (13), pp. 3363 - 3377 (2018)
BOCS: Bottom-up Open-source Coarse-graining Software. The Journal of Physical Chemistry B 8.
Journal Article
6 (1), 21 (2018)
The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions. Computation 9.
Journal Article
148 (20), 204111 (2018)
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models. The Journal of Chemical Physics 10.
Journal Article
13 (5), pp. 2185 - 2201 (2017)
Extended Ensemble Approach to Transferable Potentials for Low Resolution Coarse-Grained Models of Ionomers. Journal of Chemical Theory and Computation 11.
Journal Article
225 (8-9), pp. 1373 - 1389 (2016)
Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields. European Physical Journal - Special Topics 12.
Journal Article
144 (5), 051102 (2016)
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information. The Journal of Chemical Physics 13.
Journal Article
224 (12), pp. 2193 - 2216 (2015)
A generalized-Yvon-Born-Green method for coarse-grained modeling Advances, Challenges, and Insight. European Physical Journal Meeting Abstract (4)
14.
Meeting Abstract
118 3 Ed., 286-Pos, p. 58A. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, February 15, 2020 - February 19, 2020. Cell Press, Cambridge, Mass. (2020)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. In Biophysical Journal, 15.
Meeting Abstract
258, 22-COMP. ACS Fall National Meeting and Exposition, San Diego, CA, August 25, 2019 - August 29, 2019. (2019)
Consistent representation of structural and dynamical properties from coarse-grained simulation models. In Abstracts of Papers of the American Chemical Society, 16.
Meeting Abstract
112 (3), 958-Pos, pp. 194A - 194A . 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Cell Press, Cambridge, Mass. (2017)
Characterization of Coarse-Grained Helix-Coil Transition Kinetics using Markov State Models. In Biophysical Journal, 17.
Meeting Abstract
110 (3), pp. 523A - 523A . Cell Press, Cambridge, Mass. (2016)
Improved Kinetics of Molecular Simulations using Biased Markov State Models. In Biophysical Journal,