Blättern Fakultät für Biologie und Psychologie (inkl. GAUSS) nach "Grubmüller, Helmut Prof. Dr." Betreuer
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Free energy calculations of protein-ligand complexes with computational molecular dynamics
(2008-11-07)The accurate calculation of binding free energies for protein-ligand complexes is a field of extensive research. The accuracy in such free energy calculations from atomic-level molecular ... -
Molecular Dynamics Studies of the Phi29 Connector-DNA complex
(2015-04-10)During replication of the Phi29 bacteriophage, a DNA packaging motor packages the viral DNA into the procapsid against a maximum pressure difference of ~60 atm, which is generated by the already packed DNA. Several models ... -
Molekular-Dynamik-Simulationen zum Katalysemechanismus der Acetylcholinesterase
(2002-02-14)Acetylcholinesterase plays an important role in the signal transmission in cholinergic synapses. The aim of this work is to obtain a better insight into the catalytic reaction mechanism ...