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pro vyhledávání: '"Carolin Seith"'
Publikováno v:
Journal of computational chemistry, 35, 2027-2039
In most implicit continuum models, membranes are represented as heterogeneous dielectric environments, but their treatment within computationally efficient generalized Born (GB) models is challenging. Despite several previous attempts, an adequate de
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https://publikationen.bibliothek.kit.edu/110099340
Autor:
Timo Strunk, Julia Setzler, Moritz Wolf, Martin Brieg, Nana Heilmann, Carolin Seith, Wolfgang Wenzel
Publikováno v:
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Recent progress has permitted observation of reproducible folding of small proteins in molecular dynamics simulations(1, 2). Despite the availability of transferable forcefields, these methods remain constrained by the short time-step and availabilit
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Publikováno v:
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Computer simulations of proteins acting in biological membranes remain a very challenging task, due to the complexity and size of such systems. Depending upon the specific question to be addressed, implicit membrane models offer a computational less
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