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JCC
2000
66views more  JCC 2000»
13 years 4 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
13 years 9 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
13 years 2 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...
CPHYSICS
2007
84views more  CPHYSICS 2007»
13 years 4 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
13 years 6 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