Notes on the treatment of charged particles for studying cyclotide/membrane interactions with dissipative particle dynamics

HIGHLIGHTS

  • who: Felix Bu00e4nsch and colleagues from the Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences have published the research: Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics, in the Journal: Membranes 2022, 12, 619. of /2022/

SUMMARY

    Biomolecular membrane processes often take place on a microsecond scale, involving large interacting molecular ensembles with millions of atoms. In contrast, coarse-grained mesoscopic simulation techniques such as dissipative particle dynamics (DPD) considerably reduce the necessary number of interacting particles and allow much longer integration time . . .

     

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