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CAGD
2006
120views more  CAGD 2006»
13 years 9 months ago
Quality meshing of implicit solvation models of biomolecular structures
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Prot...
Yongjie Zhang, Guoliang Xu, Chandrajit L. Bajaj
ICCAD
2006
IEEE
108views Hardware» more  ICCAD 2006»
14 years 6 months ago
From molecular interactions to gates: a systematic approach
The continuous minituarization of integrated circuits may reach atomic scales in a couple of decades. Some researchers have already built simple computation engines by manipulatin...
Josep Carmona, Jordi Cortadella, Yousuke Takada, F...
SMA
2009
ACM
137views Solid Modeling» more  SMA 2009»
14 years 4 months ago
Hierarchical molecular interfaces and solvation electrostatics
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computat...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Guoli...
JCC
2002
94views more  JCC 2002»
13 years 9 months ago
Modern protein force fields behave comparably in molecular dynamics simulations
: 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...
Daniel J. Price, Charles L. Brooks III
DIS
2005
Springer
14 years 3 months ago
Exploring Predicate-Argument Relations for Named Entity Recognition in the Molecular Biology Domain
In this paper, the semantic relationships between a predicate and its arguments in terms of semantic roles are employed to improve lexical-based named entity recognition (NER) in t...
Tuangthong Wattarujeekrit, Nigel Collier