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The Journal of Chemical Physics|July 23, 2004
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matchingSergei Izvekov, Michele Parrinello, Christian J Burnham, et al.Elife|July 24, 2018
Gating mechanisms during actin filament elongation by forminsFikret Aydin, Naomi Courtemanche, Thomas D Pollard, et al.Journal of Chemical Theory and Computation|December 1, 2015
Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess ProtonChris Knight, C Mark Maupin, Sergei Izvekov, et al.Journal of the American Chemical Society|June 6, 2022
Inositol Hexakisphosphate (IP6) Accelerates Immature HIV-1 Gag Protein Assembly toward Kinetically Trapped MorphologiesAlexander J Pak, Manish Gupta, Mark Yeager, et al.Biophysical Journal|November 28, 2020
Lipid-Composition-Mediated Forces Can Stabilize Tubular Assemblies of I-BAR ProteinsZack Jarin, Alexander J Pak, Patricia Bassereau, et al.The Journal of Chemical Physics|January 30, 2021
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperatureJaehyeok Jin, Alexander J Pak, Yining Han, et al.The Journal of Chemical Physics|January 30, 2021
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and modelJaehyeok Jin, Yining Han, Alexander J Pak, et al.Physical Chemistry Chemical Physics : PCCP|October 19, 2017
LK peptide side chain dynamics at interfaces are independent of secondary structureMichael A Donovan, Helmut Lutz, Yeneneh Y Yimer, et al.ACS Applied Materials & Interfaces|July 8, 2022
Optimization of Thermal Conductance at Interfaces Using Machine Learning AlgorithmsSabiha Rustam, Malachi Schram, Zexi Lu, et al.Biophysical Journal|August 24, 2024
Estimation of vibrational spectra of Trp-cage protein from nonequilibrium metadynamics simulationsSean A Fischer, Steven J Roeters, Heleen Meuzelaar, et al.Pageof 60