Parallel computing and molecular dynamics of biological membranes
نویسندگان
چکیده
منابع مشابه
Parallel computing and molecular dynamics of biological membranes
In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does not seem to affect the numerical accuracy of the simulations, while the absence of integer addressing from CPU to individual nodes puts strong constraints on ...
متن کاملMolecular Dynamics Simulations of Biological Membranes
Biological membranes mainly constituent lipid molecules along with some proteins and steroles. The properties of the pure lipid bilayers as well as in the presence of other constituents (in case of two or three component systems) are very important to be studied carefully to model these systems and compare them with the realistic systems. Molecular dynamic simulations provide a good opportunity...
متن کاملParallel Computing for 4-atomic Molecular Dynamics Calculations
We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors according to the value of the momentum quantum number J and its projection M . Most of the work is local to each processor. The topology of the data communication...
متن کاملParallel computing for biological data
English In the 1990s a number of technological innovations appeared that revolutionized biology, and ’Bioinformatics’ became a new scientific discipline. Microarrays can measure the abundance of tens of thousands of mRNA species, data on the complete genomic sequences of many different organisms are available, and other technologies make it possible to study various processes at the molecular l...
متن کاملCoupling of protein and hydration-water dynamics in biological membranes.
The dynamical coupling between proteins and their hydration water is important for the understanding of macromolecular function in a cellular context. In the case of membrane proteins, the environment is heterogeneous, composed of lipids and hydration water, and the dynamical coupling might be more complex than in the case of the extensively studied soluble proteins. Here, we examine the dynami...
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: Nuclear Physics B - Proceedings Supplements
سال: 1998
ISSN: 0920-5632
DOI: 10.1016/s0920-5632(97)00963-8