1. lobos.nih.gov

    Anna Skibinsky, Richard M. Venable and Richard W. Pastor, Biophysical Journal, 89, 4111-4121 (2005). Table 2. Final coordinate sets from NPAT (constant area) bilayer simulations, identified via the area/lipid, A . ... from the lab of Dr. Jeff Klauda at the Univ. of Maryland. Earlier CHARMM C27 parameter based coordinate sets, ...
  2. pubs.acs.org

    Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor, Benoît Roux, Alexander D. MacKerell, Jr., Jeffery B. Klauda. Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
    Author:Yalun Yu, Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B...Published:2021
  3. Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites, Joseph W. O'Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D. MacKerell, and Richard W. Pastor The Journal of Physical Chemistry B 2010 114 (23), 7830-7843 DOI: 10.1021/jp101759q
  4. chbe.umd.edu

    Department of Chemical and Biomolecular Engineering

    https://chbe.umd.edu › research › labs

    Principal Investigator: Richard V. Calabrese Location: 1208C Chemical and Nuclear Engineering Building. ... Professor Jeffery Klauda's research group focuses on the use of molecular simulations and thermodynamic modeling to describe the function, dynamics, and physical properties of cellular membranes (proteins, lipids, cholesterol, etc.) and ...
  5. sciencedirect.com

    Author links open overlay panel Jeffery B. Klauda * ‡, Richard M. Venable *, ... To provide a specific example, the recent dihedral parameters for the acyl chain of lipids in C27r (Klauda et al., 2005a) were generated by high level ab initio calculations on butane through heptane. MD simulations were then carried out on liquid heptane, ...
  6. sigmaaldrich.com

    Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. by Jeffery B Klauda, Richard M Venable, J Alfredo Freites, Joseph W O'Connor, Douglas J Tobias, Carlos Mondragon-Ramirez, Igor Vorobyov, Alexander D MacKerell, Richard W Pastor. The journal of physical chemistry. B. Read more related scholarly scientific articles and abstracts.

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