• Biophysical Society 2026

    • Calculating local pKa of ionizable lipids in membranes with alchemical FEP calculations, Akshara Sharma, Sreyoshi Sur, Farbod Mahmoudinobar, Frank C. Pickard IV, Alan Grossfield, png

    • Application of molecular dynamics for development of therapeutics against opioid overdose, Emily Weed-Nichols, Alexander J. Crook, Israel Burnell, Paulina M. Getsy, James M. Secker, Stephen J. Lewis, Alan Grossfield, pdf

    • LOOS: A Tool for Making New Tools for Analyzing Molecular Simulations, Tod D. Romo, Akshara Sharma, Louis G. Smith, and Alan Grossfield, pdf

  • Biophysical Society 2025

    • “Application of Molecular Dynamics for Development of Therapeutics Against Opioid Overdose”, Emily Weed-Nichols, James M. Seckler, Alexander J. Crook, Stephen J. Lewis, Alan Grossfield, pdf

    • “A novel mixing entropy-like collective variable for driving weighted ensemble sampling of phase separation in lipid bilayers”, Akshara Sharma, Ashlin Poruthoor, Alan Grossfield, png

    • “LOOS: a tool for making new tools for analyzing molecular simulations”, Tod D. Romo, Akshara Sharma, Louis G. Smith, Alan Grossfield, pdf

  • Biophysical Society 2024

    • “Finite-site effect on the free energy landscape of phase separation in lipid bilayers estimated using molecular dynamics”, Ashlin Poruthoor, Akshara Sharma, Jack J. Stallone, Megan Miaro, Alan Grossfield pdf

    • “Application of molecular dynamics for the development of therapeutics against opioid overdose”, Emily N. Robinson, James M. Seckler, Alexander J. Crook, Stephen J. Lewis, Alan Grossfield pdf

    • “LOOS: A tool for making new tools for analyzing molecular simulations”, Tod D. Romo, Akshara Sharma, Louis G. Smith, and Alan Grossfield pdf

  • Biophysical Society 2023

    • Ashlin Poruthoor and Alan Grossfield, Accurate Estimation of free energy landscape of phase separation in lipid bilayers pdf

    • Emily N. Robinson, James M. Seckler, Stephen J. Lewis, and Alan Grossfield, Application of molecular dynamics for development of therapeutics against opioid overdosepdf

    • Tod D. Romo, Louis G. Smith, and Alan Grossfield, LOOS: A tool for analyzing molecular dynamics simulations pdf

  • Biophysical Society 2021
    • Tod D. Romo and Alan Grossfield, LOOS: A Tool for Analyzing Molecular Dynamics Simulations, pdf
  • Biophysical Society 2020

    • LOOS: A Tool for Analyzing Molecular Dynamics Simulations, Tod D. Romo and Alan Grossfield, pdf

    • Rhodopsin’s Ultra-Fast Activation Dynamics in Micelle and Bilayer Environments, Leslie A. Salas-Estrada, et al, Alan Grossfield, pdf

    • Can simulations be recycled to benchmark RNA force fields?, Louis G. Smith, Scott D. Kennedy, Douglas H. Turner, Alan Grossfield, David H. Mathews

    • Capturing the influence of solvent and neighboring residues in a fixed-charge force field for RNA, Chapin E. Cavender, Louis G. Smith, Alan Grossfield, David H. Mathews

  • Biophysical Society 2019

    • LOOS: A Tool for analyzing molecular simulations, Tod D. Romo and Alan Grossfield pdf

    • Study of Ultra-Fast Rhodopsin Activation Dynamics with Molecular Dynamics Simulations, Leslie A. Salas-Estrada, Derek Mendez, Jose D. Meza-Aguilar, Suchithranga M. D. C. Perera, Abhishek Singharoy, Andrey V. Struts, Nadia A. Zatsepin, Richard A. Kirian, Thomas D. Grant, Petra Fromme, Michael F. Brown and Alan Grossfield pdf

    • Effects of cholesterol on fengycin, an antimicrobial lipopeptide, using weighted ensemble method, Sreyoshi Sur, Tod D. Romo, Leslie A. Salas-Estrada, and Alan Grossfield pdf

    • Exploring hydrogen bond geometry in RNA with F-SAPT, Louis G. Smith, Chapin E. Cavender, Alan Grossfield, and David H. Mathews pdf

    • Developing an accurate all-atom fixed-charge force field for RNA with implicitly polarized charges, Chapin E. Cavender, Louis G. Smith, Alan Grossfield, & David H. Mathews

  • Biophysical Society 2018

    • Identification of GPCR transition pathways using Go models. Salas-Estrada, L. A., Constable, S. J., Leioatts, N., Romo, T. D., and Grossfield A.,pdf

    • Membrane selectivity of an antimicrobial peptide using molecular dynamics, Sur, S., Romo, T. D., Grossfield, A., pdf

  • Biophysical Society 2017
    • Characterization of Rhodopsin’s Activation Mechanism Using Multi-Basin Structure-Based Models, Letty Salas-Estrada, Tod. D. Romo, Nicholas Leioatts and Alan Grossfield, pdf