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» Visualizing Dynamic Molecular Conformations
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BMCBI
2007
99views more  BMCBI 2007»
13 years 7 months ago
Identifying allosteric fluctuation transitions between different protein conformational states as applied to Cyclin Dependent Ki
Background: The mechanisms underlying protein function and associated conformational change are dominated by a series of local entropy fluctuations affecting the global structure ...
Jenny Gu, Philip E. Bourne
BIB
2007
82views more  BIB 2007»
13 years 7 months ago
High-throughput modeling and analysis of protein structural dynamics
Protein function is a dynamic property closely related to the conformational mechanisms of protein structure in its physiological environment. To understand and control the functi...
Xiong Liu, Hassan A. Karimi
ANSS
2007
IEEE
13 years 11 months ago
MDL, A Domain-Specific Language for Molecular Dynamics
Molecular Dynamics (MD) involves solving Newton's equations of motion for a molecular system and propagating the system by time-dependent updates of atomic positions and velo...
Trevor M. Cickovski, Chris Sweet, Jesús A. ...
MJ
2008
98views more  MJ 2008»
13 years 7 months ago
Prototyping bio-nanorobots using molecular dynamics simulation and virtual reality
This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive bio-nanorobotic prototyping. Us...
Mustapha Hamdi, Antoine Ferreira, Gaurav Sharma, C...
SCFBM
2008
92views more  SCFBM 2008»
13 years 7 months ago
CRANKITE: A fast polypeptide backbone conformation sampler
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sample...
Alexei A. Podtelezhnikov, David L. Wild