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Aleksander Durumeric
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Cited by
Year
On the representability problem and the physical meaning of coarse-grained models
JW Wagner, JF Dama, AEP Durumeric, GA Voth
The Journal of chemical physics 145 (4), 2016
1292016
Bottom-up coarse-graining: Principles and perspectives
J Jin, AJ Pak, AEP Durumeric, TD Loose, GA Voth
Journal of Chemical Theory and Computation 18 (10), 5759-5791, 2022
1062022
Immature HIV-1 lattice assembly dynamics are regulated by scaffolding from nucleic acid and the plasma membrane
AJ Pak, JMA Grime, P Sengupta, AK Chen, AEP Durumeric, A Srivastava, ...
Proceedings of the National Academy of Sciences 114 (47), E10056-E10065, 2017
872017
Adversarial-residual-coarse-graining: Applying machine learning theory to systematic molecular coarse-graining
AEP Durumeric, GA Voth
The Journal of Chemical Physics 151 (12), 124110, 2019
392019
Dynamics of excess electronic charge in aliphatic ionic liquids containing the bis (trifluoromethylsulfonyl) amide anion
C Xu, A Durumeric, HK Kashyap, J Kohanoff, CJ Margulis
Journal of the American Chemical Society 135 (46), 17528-17536, 2013
342013
Machine learned coarse-grained protein force-fields: Are we there yet?
AEP Durumeric, NE Charron, C Templeton, F Musil, K Bonneau, ...
Current Opinion in Structural Biology 79, 102533, 2023
332023
Insights into the cooperative nature of ATP hydrolysis in actin filaments
HH Katkar, A Davtyan, AEP Durumeric, GM Hocky, AC Schramm, ...
Biophysical journal 115 (8), 1589-1602, 2018
322018
Compatible observable decompositions for coarse-grained representations of real molecular systems
T Dannenhoffer-Lafage, JW Wagner, AEP Durumeric, GA Voth
The Journal of Chemical Physics 151 (13), 134115, 2019
212019
Statistically optimal force aggregation for coarse-graining molecular dynamics
A Krämer*, AEP Durumeric*, NE Charron, Y Chen, C Clementi, F Noé
The Journal of Physical Chemistry Letters 14 (17), 3970-3979, 2023
132023
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables
F Aydin, AEP Durumeric, GCA da Hora, JDM Nguyen, MI Oh, ...
The Journal of Chemical Physics 155 (4), 2021
132021
Utilizing machine learning to greatly expand the range and accuracy of bottom-up coarse-grained models through virtual particles
PG Sahrmann, TD Loose, AEP Durumeric, GA Voth
Journal of Chemical Theory and Computation 19 (14), 4402-4413, 2023
122023
OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining
Y Peng, AJ Pak, AEP Durumeric, PG Sahrmann, S Mani, J Jin, TD Loose, ...
The Journal of Physical Chemistry B, 2023
112023
Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systems
AEP Durumeric, GA Voth
The Journal of Chemical Physics 158 (23), 2023
4*2023
Navigating protein landscapes with a machine-learned transferable coarse-grained model
NE Charron, F Musil, A Guljas, Y Chen, B Klara, AS Pasos-Trejo, ...
arxiv preprint arXiv:2310.18278, 2023
22023
Adversarial Analysis and Molecular Coarse-Graining
AEP Durumeric
The University of Chicago, 2021
2021
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Articles 1–15