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IROS
2007
IEEE
104views Robotics» more  IROS 2007»
14 years 1 months ago
Energy-field reconstruction for haptic-based molecular docking using energy minimization processes
— This paper presents a new method allowing haptic feedback in molecular docking simulations using a minimization process. These simulations, classically used by the pharmaceutic...
Bruno Daunay, Alain Micaelli, Stephane Régn...
BMCBI
2008
107views more  BMCBI 2008»
13 years 7 months ago
GPR17: Molecular modeling and dynamics studies of the 3-D structure and purinergic ligand binding features in comparison with P2
Background: GPR17 is a G-protein-coupled receptor located at intermediate phylogenetic position between two distinct receptor families: the P2Y and CysLT receptors for extracellul...
Chiara Parravicini, Graziella Ranghino, Maria P. A...
VRST
2005
ACM
14 years 1 months ago
AMMP-Vis: a collaborative virtual environment for molecular modeling
Molecular modeling is an important research area, helping scientists develop new drugs against diseases such as AIDS and cancer. Prior studies have demonstrated that immersive vir...
Jeffrey W. Chastine, Jeremy C. Brooks, Ying Zhu, G...
GECCO
2008
Springer
158views Optimization» more  GECCO 2008»
13 years 8 months ago
Structure and parameter estimation for cell systems biology models
In this work we present a new methodology for structure and parameter estimation in cell systems biology modelling. Our modelling framework is based on P systems, an unconl comput...
Francisco José Romero-Campero, Hongqing Cao...
IPPS
2008
IEEE
14 years 1 months ago
Model-guided performance tuning of parameter values: A case study with molecular dynamics visualization
In this paper, we consider the interaction between application programmers and tools that automatically search a space of application-level parameters that are believed to impact ...
Yiinju L. Nelson, Bhupesh Bansal, Mary W. Hall, Ai...