Grossfield Lab Posters and Publications
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
“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
“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
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
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
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
