Wonpil Im

CHARMM: The biomolecular simulation program

Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades ...

CHARMM‐GUI: A web‐based graphical user interface for CHARMM

Abstract CHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and manipulation tools of atomic coordinates and dy...

Generalized solvent boundary potential for computer simulations

A general approach has been developed to allow accurate simulations of a small region part of a large macromolecular system while incorporating the influence of the remaining di...

Automated Builder and Database of Protein/Membrane Complexes for Molecular Dynamics Simulations

Molecular dynamics simulations of membrane proteins have provided deeper insights into their functions and interactions with surrounding environments at the atomic level. Howeve...

Ions and Counterions in a Biological Channel: A Molecular Dynamics Simulation of OmpF Porin from Escherichia coli in an Explicit Membrane with 1M KCl Aqueous Salt Solution