11 citations · 13 across the 5 of their papers we have counts for
5 papers
Drug-induced activation of integrin alpha IIb beta 3 leads to minor localized structural changes
Una Janke, Martin Kulke, Ina Buchholz +3
Integrins are transmembrane proteins involved in hemostasis, wound healing, immunity and cancer. In response to intracellular signals and ligand binding, integrins adopt different…
Molecular dynamics simulations and in vitro analysis of the CRMP2 thiol switch
Daniel Möller, Manuela Gellert, Walter Langel +1
Collapsin response mediator protein CRMP2 (gene: DPYSL2) is crucial for neuronal development. The homotetrameric CRMP2 complex is regulated via two mechanisms, first by phosphoryla…
Analysis of perturbed H2O vibrations beyond Fourier transform
Walter Langel
New analysis methods for the vibrational dynamics from molecular dynamics are proposed and applied to liquid HO. The internal modes of HO are amplitude-modulated by Lan…
Substrate-Enzyme Interaction in Pig Liver Esterase
Daniel Hasenpusch, Daniel Möller, Uwe T. Bornscheuer +1
Force field and first principles molecular dynamics simulations on complexes of pig liver esterase (pig liver isoenzymes and a mutant) and selected substrates (1-phenyl-1-ethyl ace…
Molecular Dynamics Studies of Changes in the DNA- Structure as Result of Interactions with Cisplatin
Alexander N. Issanin, Walter Langel, Patrick J. Bednarski
The 3'-monofunctional adduct of cisplatin and d(CTCTG*G*TCTC)2 duplex DNA in solvent with explicit counter ions and water molecules were subjected to MD- simulation with AMBER forc…