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Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models.

, , , and . Journal of Computational Chemistry, 33 (9): 937-949 (2012)

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Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models., , , and . Journal of Computational Chemistry, 33 (9): 937-949 (2012)Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method., , , and . Entropy, 20 (4): 222 (2018)A Distributed Computing Center Software for the Efficient Use of Parallel Computer Systems., , and . HPCN, volume 797 of Lecture Notes in Computer Science, page 129-136. Springer, (1994)ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation., , , , , , , , and . Comput. Phys. Commun., (2019)The Swelling Behavior of Charged Hydrogels, , and . Macromolecular Symposia, 237 (1): 90--107 (March 2006)Computer Simulations of Soft Matter: Linking the Scales., , and . Entropy, 16 (8): 4199-4245 (2014)Swelling of polyelectrolyte networks, , and . The Journal of Chemical Physics, (April 2005)Supercomputing in Polymer Research (Invited Paper).. HPCN, volume 796 of Lecture Notes in Computer Science, page 244-253. Springer, (1994)Entangled polymer systems., , , and . Comput. Phys. Commun., 169 (1-3): 75-81 (2005)Computer Simulations of the “Hairy Rod” Model, , and . Macromolecular Chemistry and Physics, 206 (1): 77--82 (January 2005)