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Plos One|April 24, 2019
Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor αJustin Spiriti, Sundar Raman Subramanian, Rohith Palli, et al.
Plos Computational Biology|July 3, 2020
A systems-biology approach to molecular machines: Exploration of alternative transporter mechanismsAugust George, Paola Bisignano, John M Rosenberg, et al.
The Journal of Chemical Physics|November 10, 2019
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski pictureJeremy Copperman, David Aristoff, Dmitrii E Makarov, et al.
Proceedings of the National Academy of Sciences of the United States of America|May 6, 2026
Randomized iterative trajectory reweighting for steady-state distributions without discretization errorSagar Kania, Robert J Webber, Gideon Simpson, et al.
The Journal of Chemical Physics|April 8, 2025
Signatures of glassy dynamics in highly ordered lipid bilayers with emergence of soft dynamic channelsHarini SureshKumar, Sahithya S Iyer, Atreyee Banerjee, et al.
The Journal of Physical Chemistry. B|March 12, 2020
Ultrafast Formation of the Charge Transfer State of Prodan Reveals Unique Aspects of the Chromophore EnvironmentSwapnil Baral, Matthew Phillips, Han Yan, et al.
The Journal of Physical Chemistry. B|February 11, 2021
Curvature Energetics Determined by Alchemical Simulation on Four Topologically Distinct Lipid PhasesAndrew H Beaven, Clément Arnarez, Edward Lyman, et al.
The Journal of Physical Chemistry. B|July 15, 2009
General library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein modelsArtem B Mamonov, Divesh Bhatt, Derek J Cashman, et al.
The Journal of Biological Chemistry|July 5, 2019
Nanoscale dynamics of cholesterol in the cell membraneKerstin Pinkwart, Falk Schneider, Martyna Lukoseviciute, et al.
Biophysical Journal|February 28, 2013
Understanding the role of amphipathic helices in N-BAR domain driven membrane remodelingHaosheng Cui, Carsten Mim, Francisco X Vázquez, et al.
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