Multi-Scale Simulations of Proteins in Different Solvent Conditions
نویسندگان
چکیده
منابع مشابه
Multi-scale initial conditions for cosmological simulations
We discuss a new algorithm to generate multi-scale initial conditions with multiple levels of refinements for cosmological “zoom-in” simulations. The method uses an adaptive convolution of Gaussian white noise with a real space transfer function kernel together with an adaptive multi-grid Poisson solver to generate displacements and velocities following first (1LPT) or second order Lagrangian p...
متن کاملsynthesis of sulfides from alcohols and thiols in solvent-freeconditions and deoxygenation of sulfoxides
کاتالیست یک سنتز جدید برای تیواترها توصیف شده است. واکنش الکل ها با آریل، هتروآریل و آلکیل تیو ل ها درحضور 1،3،5- تری آزو- 2،4،6- تری فسفرین-2،2،4،4،6،6 هگزاکلراید ((tapc به عنوان یک کاتالیست موُثر، بازده های خوب تا عالی از تیواترها را حاصل می کند. علاوه براین، واکنش تحت شرایط بدون فلز و بدون حلال پیش می رود، بنابراین یک مکمل جالب برای روش های شناخته شده سنتز تیواترها ارائه می دهد. یک مکانیسم ا...
15 صفحه اولSolvent-free coarse-grained lipid model for large-scale simulations.
A coarse-grained molecular model, which consists of a spherical particle and an orientation vector, is proposed to simulate lipid membrane on a large length scale. The solvent is implicitly represented by an effective attractive interaction between particles. A bilayer structure is formed by orientation-dependent (tilt and bending) potentials. In this model, the membrane properties (bending rig...
متن کاملMulti-scale simulations of plasma with iPIC3D
Multi-scale simulations of plasma with iPIC3D Stefano Markidis a,b, Giovanni Lapenta c,∗, Rizwan-uddin a,d a Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, 104 S. Wright St. Urbana, IL 61801, USA b Lawrence Berkeley National Laboratory, 1 Cyclotron Road Berkeley, CA 94720, USA c Centrum voor Plasma-Astrofysica and Leuven Mathematical Modeling & Comput...
متن کاملIiit roduciag Multi- Scale Viewpoints in Multi- Agent Simulations
Current multi-agent simulations, which have many individual entities evolve and interact, often lead to the emergence of local groups of entities, but provide no means of manipulating them. To our mind, giving full a sense to multi-agent simulations would consist though in making use of such dynamically created potential groups, by granting them an existence of their own, and specific behaviour...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2011
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2010.12.3536