most citedImproved Parameterization of Amine-Carboxyate and Amine-Phosphate Interactions for Molecular Dynamics Simulations Using the CHARMM and AMBER Force Fields

6 citations · 6 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2022

GPU acceleration of many-body perturbation theory methods in MOLGW with OpenACC

Young-Moo Byun, Jejoong Yoo

Quasiparticle self-consistent many-body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited-state properties of molecular sys…

physics.bio-ph2015★ 6 cited

Improved Parameterization of Amine-Carboxyate and Amine-Phosphate Interactions for Molecular Dynamics Simulations Using the CHARMM and AMBER Force Fields

Jejoong Yoo, Aleksei Aksimentiev

Over the past decades, molecular dynamics (MD) simulations of biomolecules have become a mainstream biophysics technique. As the length and time scales amenable to the MD method in…