Publications
The following are publications made possible by iCER resources. MSU faculty that would like to highlight the output of their research that's benefited from iCER resources are invited to contact us.
] , “Conformational Sampling of Influenza Fusion Peptide in Membrane Bilayers as a Function of Termini and Protonation States”, Journal of Physical Chemistry B, vol. 114, pp. 1407-1416, 2010.
, “Conformational Sampling of S- and R-Warfarin in Polar Solvents: Implications for Stereoselective Complex Formation”, Journal of Molecular Structure (Theochem), vol. 949, no. 1-3, pp. 41-51, 2010.
, “Effect of membrane thickness on conformational sampling of phospholamban from computer simulations”, Biophysical Journal, vol. 98, no. 5, pp. 805-814, 2010.
, “PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy”, Proteins: Structure, Function, and Bioinformatics, vol. 78, no. 5, pp. 1266-1281, 2010.
, “Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations”, Journal of Computational Chemistry, vol. 27, no. 6, pp. 719–729, 2006.
, “Molecular Dynamics Simulations of Large Integral Membrane Proteins with an Implicit Membrane Model”, The Journal of Physical Chemistry B, vol. 110, pp. 548–556, 2006.