Molecular Dynamics Simulations of Solvated Yeast tRNAAsp
نویسندگان
چکیده
منابع مشابه
Elastic bag model for molecular dynamics simulations of solvated systems: application to liquid water and solvated peptides.
The fluctuating elastic boundary (FEB) model for molecular dynamics has recently been developed and validated through simulations of liquid argon. In the FEB model, a flexible boundary which consists of particles connected by springs is used to confine the solvated system, thereby eliminating the need for periodic boundary conditions. In this study, we extend this model to the simulation of bul...
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A new approach is developed to study the dynamics of the localized process in solutions and other condensed phase systems. The approach employs a fluctuating elastic boundary (FEB) model which encloses the simulated system in an elastic bag that mimics the effects of the bulk solvent. This alleviates the need for periodic boundary conditions and allows for a reduction in the number of solvent m...
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We have completed a molecular dynamics simulation of protein (bovine pancreatic trypsin inhibitor, BPTI) in solution at high pressure (10 kbar). The structural and energetic effects of the application of high pressure to solvated protein are analyzed by comparing the results of the high-pressure simulation with a corresponding simulation at low pressure. The volume of the simulation cell contai...
متن کاملMolecular dynamics simulations.
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1999
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(99)77177-8