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Tag coarse_grain [24 articles]

Articoli recentemente classificati sotto il tag coarse_grain.
  • Membrane proteins: molecular dynamics simulations
    Current Opinion in Structural Biology, Vol. In Press, Corrected Proof
    by Erik Lindahl, Mark SP Sansom
    posted to coarse_grain ion_channel md md_simulation membrane membrane_proteins by rok on 2008-08-21 21:06:02 as ** along with 3 people and 1 group vahmurk cat_worth jmccammon McCammon
  • A finite element framework for computation of protein normal modes and mechanical response
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Mark Bathe
    posted to coarse_grain md by RamuAnandakrishnan on 2007-11-15 19:40:24 as ** along with 2 people and 1 group choonpeng skoddet Nielsen group
  • Multiscale modeling of biomolecular systems: in serial and in parallel
    Current Opinion in Structural Biology, Vol. In Press, Corrected Proof
    by Gary S Ayton, Will G Noid, Gregory A Voth
    posted to coarse_grain by RamuAnandakrishnan on 2008-09-04 04:41:43 as ** along with 2 people aqeel choonpeng
  • Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
    J. Chem. Theory Comput., Vol. 4, No. 8. (12 August 2008), pp. 1386-1400.
    by Hujun Shen, Cezary Czaplewski, Adam Liwo, Harold A Scheraga
    posted to coarse_grain by RamuAnandakrishnan on 2008-09-04 04:35:01 as **
  • Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution
    Annual Review of Physical Chemistry, Vol. 59, No. 1. (2008), pp. 545-571.
    by Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    posted to coarse_grain electrostatics md by RamuAnandakrishnan on 2008-05-21 13:42:03 as ** along with 1 person softsimu
  • Mapping of Explicit Atom onto United Atom Potentials
    Macromolecules, Vol. 31, No. 26. (29 December 1998), pp. 9362-9368.
    by JD Mccoy, JG Curro
    posted to coarse_grain md by RamuAnandakrishnan on 2007-11-30 20:58:08 as **
  • Dynamics of entangled linear polymer melts: A molecular-dynamics simulation
    The Journal of Chemical Physics, Vol. 92, No. 8. (1990), pp. 5057-5086.
    by Kurt Kremer, Gary S Grest
    posted to coarse_grain md nucleosome by RamuAnandakrishnan on 2008-08-23 14:46:45 as ** along with 3 people kaz229 jheco 6rheology
  • Coarse-grained force field for the nucleosome from self-consistent multiscaling
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Karine Voltz, Joanna Trylska, Valentina Tozzini, Vandana Kurkal-Siebert, Jörg Langowski, Jeremy Smith
    posted to coarse_grain md nucleosome by RamuAnandakrishnan on 2008-02-13 14:39:41 as ** along with 1 person onufriev
  • Biological and synthetic membranes: What can be learned from a coarse-grained description?
    Physics Reports, Vol. 434, No. 5-6. (November 2006), pp. 113-176.
    by Marcus Muller, Kirill Katsov, Michael Schick
    posted to coarse_grain by RamuAnandakrishnan on 2008-09-04 04:52:02 as ** along with 1 person loison
  • Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus
    Structure, Vol. 14, No. 3. (March 2006), pp. 437-449.
    by Peter L Freddolino, Anton S Arkhipov, Steven B Larson, Alexander Mcpherson, Klaus Schulten
    posted to coarse_grain md by RamuAnandakrishnan on 2007-11-22 04:10:32 as ** along with 1 person and 2 groups barry structural_bioinformatics Bioinformatics
  • Mesoscopic models of biological membranes
    Physics Reports, Vol. 437, No. 1-2. (December 2006), pp. 1-54.
    by Maddalena Venturoli, Maddalena, Marieke Kranenburg, Berend Smit
    posted to coarse_grain by RamuAnandakrishnan on 2008-09-04 05:02:14 as ** along with 1 person choonpeng
  • Stability and dynamics of virus capsids described by coarse-grained modeling.
    Structure, Vol. 14, No. 12. (December 2006), pp. 1767-1777.
    by A Arkhipov, PL Freddolino, K Schulten
    posted to coarse_grain electrostatics folding md by RamuAnandakrishnan on 2007-11-22 04:42:33 as ** along with 1 person choonpeng
  • Discretized model of proteins. I. Monte Carlo study of cooperativity in homopolypeptides
    The Journal of Chemical Physics, Vol. 97, No. 12. (1992), pp. 9412-9426.
    by Andrzej Kolinski, Jeffrey Skolnick
    posted to coarse_grain md by RamuAnandakrishnan on 2007-12-03 19:49:55 as **
  • Multiscale modeling and simulation methods with applications to dendritic polymers
    Computational and Theoretical Polymer Science, Vol. 11, No. 5. (October 2001), pp. 345-356.
    by Tahir Cagin, Guofeng Wang, Ryan Martin, Georgios Zamanakos, Nagarajan Vaidehi, Daniel T Mainz, William A Goddard
    posted to coarse_grain implicit_solvent md by RamuAnandakrishnan on 2007-12-02 15:00:44 as **
  • Some fundamental problems for an energy conserving adaptive resolution molecular dynamics scheme
    (17 Sep 2007)
    by L Delle Site
    posted to coarse_grain electrostatics md by RamuAnandakrishnan on 2008-04-16 20:41:19 as **
  • Coarse-grained models for proteins.
    Curr Opin Struct Biol, Vol. 15, No. 2. (April 2005), pp. 144-150.
    by V Tozzini
    posted to coarse_grain by RamuAnandakrishnan on 2008-09-04 04:39:25 as ** along with 7 people baaden aqeel ltrabuco simone cottrell choonpeng iantunbridge
  • The Interaction of Phospholipase A2 with a Phospholipid Bilayer: Coarse-Grained Molecular Dynamics Simulations
    Biophys. J. (9 May 2008), biophysj.107.123190.
    by Chze-Ling Wee, Kia Balali-Mood, David Gavaghan, Mark S Sansom
    posted to coarse_grain md_simulation membrane by jmccammon on 2008-08-20 22:15:41 as *** along with 1 person and 1 group paulschlesinger McCammon
  • REACH Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes
    Biophys. J. (9 May 2008), biophysj.108.131714.
    by Kei Moritsugu, Jeremy C Smith
    posted to coarse_grain md_simulation by jmccammon on 2008-08-20 22:13:17 as *** along with 4 people and 1 group paulschlesinger choonpeng aqeel rok McCammon
  • Protein model refinement using an optimized physics-based all-atom force field
    Proceedings of the National Academy of Sciences, Vol. 105, No. 24. (17 June 2008), pp. 8268-8273.
    by Anna Jagielska, Liliana Wroblewska, Jeffrey Skolnick
    posted to coarse_grain replica_exchange by jmccammon on 2008-07-01 23:34:02 as read along with 3 people and 2 groups RamuAnandakrishnan barry zwang structural_bioinformatics McCammon
  • Intrinsic dynamics of enzymes in the unbound state and relation to allosteric regulation
    Current Opinion in Structural Biology, Vol. 17, No. 6. (December 2007), pp. 633-640.
    by Ivet Bahar, Chakra Chennubhotla, Dror Tobi
    posted to coarse_grain md_simulation protein-ligand by jmccammon on 2008-08-21 19:52:40 as read along with 8 people and 4 groups barry aqeel ruvido cactus sobolevnrm jennifermbui higueruelo LamBras structural_bioinformatics Bioinformatics baker-group McCammon
  • Computational methods for diffusion-influenced biochemical reactions.
    Bioinformatics (30 May 2007)
    by Maciej Dobrzynski, Jordi Vidal Rodríguez, Jaap A A Kaandorp, Joke G G Blom
    posted to brownian_dynamics coarse_grain diffusion by jmccammon on 2008-08-08 21:33:56 as read along with 3 people and 1 group jjray balabu dagmar McCammon
  • From coarse-grain to all-atom: Toward multiscale analysis of protein landscapes
    Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 3. (2007), pp. 646-661.
    by Allison P Heath, Lydia E Kavraki, Cecilia Clementi
    posted to protein_structure coarse_grain by barry to the group Bioinformatics on 2008-09-26 18:14:38 as *** along with 2 people and 2 groups aqeel mijam structural_bioinformatics McCammon
  • A minimalist network model for coarse-grained normal mode analysis and its application to biomolecular x-ray crystallography.
    Proceedings of the National Academy of Sciences of the United States of America (1 October 2008)
    by Mingyang Lu, Jianpeng Ma
    posted to nma coarse_grain by barry to the group Bioinformatics on 2008-10-05 19:05:40 as ** along with 2 groups structural_bioinformatics McCammon
  • Computational techniques for efficient conformational sampling of proteins
    Current Opinion in Structural Biology, Vol. In Press, Corrected Proof
    by Adam Liwo, Cezary Czaplewski, Stanislaw Oldziej, Harold A Scheraga
    posted to review protein_dynamics coarse_grain by barry on 2008-10-02 19:59:47 as ** along with 2 people aqeel j3xucite
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