CHARMMing contains an integrated set of tools for uploading structures, performing simulations, and viewing the results. In order to provide the best possible user experience, it incorporates a number ...
CHARMM-GUI is a web-based graphical user interface (GUI) for CHARMM, a popular molecular dynamics (MD) simulation software package. CHARMM-GUI provides a variety of tools for building and preparing MD ...
These pair styles compute Lennard Jones (LJ) and Coulombic interactions with additional switching or shifting functions that ramp the energy and/or force smoothly to zero between an inner and outer ...
Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...
† Department of Molecular Biosciences and Center for Bioinformatics, The University of Kansas, 2030 Becker Drive, Lawrence, Kansas 66047, United States ‡ Beckman Institute and Center for Biophysics ...
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