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    JCC
    2006
    61views more  JCC 2006»
    Ab initio QM/MM dynamics of H3O+ in water
    13 years 11 months ago
    Ab initio QM/MM dynamics of H3O+ in water
    Download  chem.hamilton.edu
    : A molecular dynamics (MD) simulation based on a combined ab initio quantum mechanics/molecular mechanics (QM/MM) method has been performed to investigate the solvation structure ...
    Pathumwadee Intharathep, Anan Tongraar, Kritsana S...
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    BMCBI
    2006
    127views more  BMCBI 2006»
    On the attenuation and amplification of molecular noise in genetic regulatory networks
    13 years 11 months ago
    On the attenuation and amplification of molecular noise in genetic regulatory networks
    Download  www.biomedcentral.com
    Background: Noise has many important roles in cellular genetic regulatory functions at the nanomolar scale. At present, no good theory exists for identifying all possible mechanis...
    Bor-Sen Chen, Yu-Chao Wang
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    CPHYSICS
    2007
    96views more  CPHYSICS 2007»
    Simple models for biomembrane structure and dynamics
    13 years 11 months ago
    Simple models for biomembrane structure and dynamics
    Download  ccp2006.postech.edu
    Simulation of biomembranes over length and time scales relevant to cellular biology is not currently feasible with molecular dynamics including full atomic detail. Barring an unfo...
    Frank L. H. Brown
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    CEC
    2008
    IEEE
    122views Artificial Intelligence» more  CEC 2008»
    On the evolution of laser pulses under a dynamic Quantum Control environment
    14 years 5 months ago
    On the evolution of laser pulses under a dynamic Quantum Control environment
    Download  www.princeton.edu
    Abstract— This paper introduces the optimization of a Quantum Control application, the so-called molecular alignment problem, subject to a dynamic environment. Given the relative...
    Ofer M. Shir, Thomas Bäck, Herschel Rabitz, M...
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    IPPS
    2007
    IEEE
    124views Distributed And Parallel Com...» more  IPPS 2007»
    On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors
    14 years 5 months ago
    On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors
    Download  www.cecs.uci.edu
    1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
    Sadaf R. Alam, Pratul K. Agarwal
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