CHARMMing: A New, Flexible Web Portal for CHARMM
A new web portal for the CHARMM macromolecular modeling package, CHARMMing (CHARMM interface and graphics, http://www.charmming.org), is presented. This tool provides a user-fri...
Publications
2 shownAn ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer
Energies of 119 conformations of normal alkanes from butane to heptane were calculated at approximately the CCSD(T)/cc-pVQZ level. Energies of gauche (g) conformers relative to ...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 445
- Institution
- National Institute of Chemistry
External Links
Identifiers
- ORCID
- 0000-0001-8725-1870
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.