MD simulation trajectory and related files for fully hydrated DPPC bilayer with 150 mM NaCl. Berger-DPPC-98 force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads) was used
Molecular dynamics trajectories of protein folding are deposited for educational purposes. Currently, the following trajectories are available: Chignolin (five independent NVT simulations up to 1.5 mi
A Monte Carlo simulation method for globular proteins, called extended-scaled-collective-variable (ESCV) Monte Carlo, is proposed. This method combines two Monte Carlo algorithms known as entropy-samp
Trajectories and other input/output files of Molecular Dynamics Simulations of DPPS lipidic bilayers with salted water (0.25M NaCl) and hydration Number=12 Force Field = CHARMM36 and mTIP3P Composi
