Molecular Dynamics Studies on the Soft-Core Model
نویسندگان
چکیده
منابع مشابه
Hamiltonian replica exchange molecular dynamics using soft-core interactions.
To overcome the problem of insufficient conformational sampling within biomolecular simulations, we have developed a novel Hamiltonian replica exchange molecular dynamics (H-REMD) scheme that uses soft-core interactions between those parts of the system that contribute most to high energy barriers. The advantage of this approach over other H-REMD schemes is the possibility to use a relatively s...
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ژورنال
عنوان ژورنال: Progress of Theoretical Physics
سال: 1974
ISSN: 0033-068X,1347-4081
DOI: 10.1143/ptp.52.1105