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The Journal of Physical Chemistry. B|June 28, 2019
Chemically Selective Transport in a Cross-Linked H<sub>II</sub> Phase Lyotropic Liquid Crystal MembraneBenjamin J Coscia, Michael R ShirtsJournal of Chemical Theory and Computation|August 14, 2020
Capturing Subdiffusive Solute Dynamics and Predicting Selectivity in Nanoscale Pores with Time Series ModelingBenjamin J Coscia, Michael R ShirtsThe Journal of Physical Chemistry. B|August 14, 2020
Statistical Inference of Transport Mechanisms and Long Time Scale Behavior from Time Series of Solute Trajectories in Nanostructured MembranesBenjamin J Coscia, Christopher P Calderon, Michael R ShirtsThe Journal of Physical Chemistry. B|November 23, 2022
Obtaining and Characterizing Stable Bicontinuous Cubic Morphologies and Their Nanochannels in Lyotropic Liquid Crystal MembranesSubin Sahu, Nathanael S Schwindt, Benjamin J Coscia, et al.The Journal of Physical Chemistry. B|December 7, 2018
Understanding the Nanoscale Structure of Inverted Hexagonal Phase Lyotropic Liquid Crystal Polymer MembranesBenjamin J Coscia, Joseph Yelk, Matthew A Glaser, et al.Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Best practices in free energy calculations for drug designMichael R ShirtsJournal of Chemical Theory and Computation|November 21, 2015
Simple Quantitative Tests to Validate Sampling from Thermodynamic EnsemblesMichael R ShirtsThe Journal of Chemical Physics|April 26, 2013
Multistate reweighting and configuration mapping together accelerate the efficiency of thermodynamic calculations as a function of molecular geometry by orders of magnitudeHimanshu Paliwal, Michael R ShirtsJournal of Chemical Theory and Computation|November 25, 2015
A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy MethodsHimanshu Paliwal, Michael R ShirtsJournal of Chemical Theory and Computation|November 20, 2015
Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded InteractionsHimanshu Paliwal, Michael R ShirtsPageof 12