QwikMD - Gateway for Easy Simulation with VMD and NAMD
نویسندگان
چکیده
منابع مشابه
A VMD Plugin for NAMD Simulations on Amazon EC2
VMD and NAMD are two major molecular dynamics simulation software packages, which can work together for mining structural information of bio-molecules. Carrying out such molecular dynamics simulations can help researchers to understand the roles and functions of various bio-molecules in life science research. Recently, clouds have provided HPC clusters on demand that allow users to benefit from...
متن کاملQwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts
The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion can be studied using a wide variety of techniques, but none offers the level of detail as do molecular dynamics (MD) simulations. Integrating two widely used modeling programs, namely NAMD and VMD, we have created a ro...
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the poor orientation of the restaurants toward the information technology has yet many unsolved issues in regards to the customers. one of these problems which lead the appeal list of later, and have a negative impact on the prestige of the restaurant is the case when the later does not respond on time to the customers’ needs, and which causes their dissatisfaction. this issue is really sensiti...
15 صفحه اولScalable molecular dynamics with NAMD
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on low-cost commodity clusters, and also runs on individual desktop and laptop computers. NAMD works with AMBER and CHARMM potential functions, parameters, and file formats. This art...
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abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2018
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2017.11.3632