97 search results - page 8 / 20 » Implementation of Force Distribution Analysis for Molecular ... |
BMCBI
2010
13 years 10 months ago
2010
Background: Selective pressure in molecular evolution leads to uneven distributions of amino acids and nucleotides. In fact one observes correlations among such constituents due t...
TROB
2008
13 years 10 months ago
2008
A nonsmooth (hybrid) 3-D mathematical model of a snake robot (without wheels) is developed and experimentally validated in this paper. The model is based on the framework of nonsmo...
CPHYSICS
2006
13 years 10 months ago
2006
State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
SC
2005
ACM
14 years 3 months ago
2005
ACM
— SPICE aims to understand the vital process of translocation of biomolecules across protein pores by computing the free energy profile of the translocating biomolecule along th...
PC
2008
13 years 10 months ago
2008
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...