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BICOB
2009
Springer
13 years 11 months ago
2009
Springer
Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
BMCBI
2011
12 years 11 months ago
2011
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...
PPOPP
2006
ACM
13 years 10 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
WABI
2005
Springer
13 years 10 months ago
2005
Springer
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
HPCS
2007
IEEE
13 years 11 months ago
2007
IEEE
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...