Publikationen von Joseph F. Rudzinski
Alle Typen
Zeitschriftenartikel (18)
2023
Zeitschriftenartikel
14 (49), S. 11224 - 11234 (2023)
Liquid-Liquid Phase Separation of the Intrinsically Disordered Domain of the Fused in Sarcoma Protein Results in Substantial Slowing of Hydration Dynamics. The Journal of Physical Chemistry Letters 2022
Zeitschriftenartikel
157 (10), 104102 (2022)
Broad chemical transferability in structure-based coarse-graining. The Journal of Chemical Physics
Zeitschriftenartikel
18 (12), S. 2373 - 2382 (2022)
Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions. Soft Matter 2021
Zeitschriftenartikel
33 (22), 224001 (2021)
Dynamical properties across different coarse-grained models for ionic liquids. Journal of Physics: Condensed Matter 2020
Zeitschriftenartikel
124 (20), S. 4097 - 4113 (2020)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. The Journal of Physical Chemistry B
Zeitschriftenartikel
1 (1), 015012 (2020)
Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders. Machine Learning: Science and Technology
Zeitschriftenartikel
153 (21), 0031249 (2020)
Coarse-grained conformational surface hopping: Methodology and transferability. The Journal of Chemical Physics 2019
Zeitschriftenartikel
7 (3), 42 (2019)
Recent Progress towards Chemically-Specific Coarse-Grained Simulation Models with Consistent Dynamical Properties. Computation
Zeitschriftenartikel
150 (2), 024102 (2019)
Automated detection of many-particle solvation states for accurate characterizations of diffusion kinetics. The Journal of Chemical Physics
Zeitschriftenartikel
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 2018
Zeitschriftenartikel
121 (25), 256002 (2018)
Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing Dynamics. Physical Review Letters
Zeitschriftenartikel
122 (13), S. 3363 - 3377 (2018)
BOCS: Bottom-up Open-source Coarse-graining Software. The Journal of Physical Chemistry B
Zeitschriftenartikel
6 (1), 21 (2018)
The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions. Computation
Zeitschriftenartikel
148 (20), 204111 (2018)
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models. The Journal of Chemical Physics 2017
Zeitschriftenartikel
13 (5), S. 2185 - 2201 (2017)
Extended Ensemble Approach to Transferable Potentials for Low Resolution Coarse-Grained Models of Ionomers. Journal of Chemical Theory and Computation 2016
Zeitschriftenartikel
225 (8-9), S. 1373 - 1389 (2016)
Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields. European Physical Journal - Special Topics
Zeitschriftenartikel
144 (5), 051102 (2016)
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information. The Journal of Chemical Physics 2015
Zeitschriftenartikel
224 (12), S. 2193 - 2216 (2015)
A generalized-Yvon-Born-Green method for coarse-grained modeling Advances, Challenges, and Insight. European Physical Journal Meeting Abstract (6)
2021
Meeting Abstract
120, 382-Pos, S. 79A - 79A. 65th Biophysical Society Annual Meeting, Virtual, Online, 22. Februar 2021 - 26. Februar 2021. Cell Press, Cambridge, Mass. (2021)
Automated Identification of Collective Variables and Metastable States from Molecular Dynamics Data. In Biophysical Journal, 2020
Meeting Abstract
118 3 Aufl., 286-Pos, S. 58A. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Cell Press, Cambridge, Mass. (2020)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. In Biophysical Journal,