129 search results - page 17 / 26 » High-throughput protein structure determination using grid c... |
BMCBI
2010
2010
Orientation-dependent backbone-only residue pair scoring functions for fixed backbone protein design
14 years 9 months ago
Background: Empirical scoring functions have proven useful in protein structure modeling. Most such scoring functions depend on protein side chain conformations. However, backbone...
GRID
2007
Springer
15 years 3 months ago
2007
Springer
— Replica exchange is a powerful sampling algorithm and can be effectively used for applications such as simulating the structure, function, folding, and dynamics of proteins and...
CIBCB
2006
IEEE
15 years 3 months ago
2006
IEEE
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
BMCBI
2008
14 years 9 months ago
2008
Background: The number of protein targets with a known or predicted tri-dimensional structure and of drug-like chemical compounds is growing rapidly and so is the need for new the...
BMCBI
2005
14 years 9 months ago
2005
Background: The determination of protein surfaces and the detection of binding sites are essential to our understanding of protein-protein interactions. Such binding sites can be ...