Journal Article 2 2867-20-1 1 30KYC7MIAI 1 3KX376GY7L 1 50936-63-5 1 67XQY1V3KH 1 Argon 1 mehr ... Aspartic Acid 1 Dipeptides 1 Glutamic Acid 1 Protons 1 Research Support, N.I.H., Intramural 1 Research Support, Non-U.S. Gov't 1 Research Support, U.S. Gov't, Non-P.H.S. 1 Trypsin Inhibitor, Kazal Pancreatic 1 alanylalanine 1 canonical ensemble 1 conformational sampling 1 generalized Langevin equation 1 generalized ensemble 1 grand canonical ensemble 1 mean field 1 molecular simulation 1 multistate free energy perturbation 1 self-guided Langevin dynamics 1 weniger ...