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76
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JCC
2000
66views more  JCC 2000»
14 years 10 months ago
The molecular modeling toolkit: A new approach to molecular simulations
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
Konrad Hinsen
UIST
2003
ACM
15 years 3 months ago
A molecular architecture for creating advanced GUIs
This paper presents a new GUI architecture for creating advanced interfaces. This model is based on a limited set of general principles that improve flexibility and provide capabi...
Eric Lecolinet
HCI
2009
14 years 8 months ago
A New Approach to Design an Interactive System for Molecular Analysis
The rapid evolution of molecule's imaging and observation's techniques has caused a growing interest in studying molecular structures. Naturally, scientists have turned t...
Mouna Essabbah, Samir Otmane, Joan Hérisson...
82
Voted
CPHYSICS
2007
84views more  CPHYSICS 2007»
14 years 10 months ago
Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...
Yongzhi Chen, Xin Chen, Yuefan Deng
ISMB
1998
14 years 11 months ago
BioSim: A New Qualitative Simulation Environment for Molecular Biology
Traditionally, biochemical systems are modelled usingkinetics anddifferential equationsin a quantitative simulator. However,for manybiological processes detailed quantitative info...
Karsten R. Heidtke, Steffen Schulze-Kremer