Navigation: Documentation / References


Research work employing PMFLib

  1. Stepan, J.; Kabelka, I.; Koca, J.; Kulhanek, P. Behavior of BsoBI Endonuclease in the Presence and Absence of DNA. J. Mol. Model. 2018, 24 (1), 22. doi:10.1007/s00894-017-3557-8.
  2. Ruzicka, M.; Kulhanek, P.; Radova, L.; Cechova, A.; Spackova, N.; Fajkusova, L.; Reblova, K. DNA Mutation Motifs in the Genes Associated with Inherited Diseases. PLoS One 2017, 12 (8), e0182377. doi:10.1371/journal.pone.0182377.
  3. Kumari, M.; Kozmon, S.; Kulhanek, P.; Stepan, J.; Tvarozka, I.; Koca, J. Exploring Reaction Pathways for O-GlcNAc Transferase Catalysis. A String Method Study. J. Phys. Chem. B 2015, 119 (12), 4371-4381. doi:10.1021/jp511235f.
  4. Novotny, J.; Kulhanek, P.; Marek, R. Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels. J. Phys. Chem. Lett. 2012, 3 (13), 1788?1792. doi:10.1021/jz300559w.
  5. Mones, L.; Kulhanek, P.; Simon, I.; Laio, A.; Fuxreiter, M. The Energy Gap as a Universal Reaction Coordinate for the Simulation of Chemical Reactions. J. Phys. Chem. B 2009, 113 (22), 7867-7873. doi:10.1021/jp9000576.

Adaptive Biasing Method

Constrained Dynamics

String Method