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» Scalable Molecular Dynamics for Large Biomolecular Systems
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CPHYSICS
2007
84views more  CPHYSICS 2007»
13 years 7 months ago
Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...
Yongzhi Chen, Xin Chen, Yuefan Deng
BMCBI
2011
13 years 2 months ago
Implementation of Force Distribution Analysis for Molecular Dynamics simulations
Background: The way mechanical stress is distributed inside and propagated by proteins and other biopolymers largely defines their function. Yet, determining the network of intera...
Wolfram Stacklies, Christian Seifert, Frauke Graet...
JCC
2010
113views more  JCC 2010»
13 years 5 months ago
MDLab: A molecular dynamics simulation prototyping environment
Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...
Trevor M. Cickovski, Santanu Chatterjee, Jacob Wen...
HIPC
2007
Springer
14 years 1 months ago
Molecular Dynamics Simulations on Commodity GPUs with CUDA
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...
Weiguo Liu, Bertil Schmidt, Gerrit Voss, Wolfgang ...
IJNSEC
2006
270views more  IJNSEC 2006»
13 years 7 months ago
Efficient Key Agreement for Large and Dynamic Multicast Groups
Secure multicast represents the core component of many web and multimedia applications such as pay-TV, teleconferencing, real-time distribution of stock market price and etc. The ...
Liming Wang, Chuan-Kun Wu