DAGSTUHL
2011
12 years 11 months ago
2011
Saliency-based analysis can be applied to time-varying 3D datasets purpose of summarization, abstraction, and motion analysis. As the sizes of time-varying datasets continue to gro...
JCC
2011
13 years 6 months ago
2011
Abstract: With today’s available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing num...
JCC
2002
13 years 11 months ago
2002
: Several molecular dynamics simulations were performed on three proteins--bovine apo-calbindin D9K, human interleukin-4 R88Q mutant, and domain IIA of bacillus subtilis glucose pe...
JCC
2007
13 years 11 months ago
2007
: We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules usin...
CPHYSICS
2008
13 years 11 months ago
2008
We examine parallel algorithms for molecular dynamics simulations involving long-range induction interactions. The algorithms are tested by performing molecular dynamics simulatio...
ISCAPDCS
2008
14 years 26 days ago
2008
Molecular dynamics simulations are known to run for many days or weeks before completion. In this paper we explore the use of GPUs to accelerate a LennardJones-based molecular dyn...
VRML
1999
ACM
14 years 3 months ago
1999
ACM
One application of VRML is visualisation of scientific data. Using VRML results of simulations and other scientific endeavours can be published on the web with all the advantage...
EUROGP
2004
Springer
14 years 4 months ago
2004
Springer
Abstract. In this paper we consider a new class of search and optimization algorithms inspired by molecular dynamics simulations in physics.
HIPC
2007
Springer
14 years 5 months ago
2007
Springer
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...
RECOMB
2009
Springer
15 years 1 days ago
2009
Springer
Collective behavior involving distally separate regions in a protein is known to widely affect its function. In this paper, we present an online approach to study and characterize ...