Registrera dig | Logga in | FAQ      [?] 
Recent | Recommended | Search | Authors | Tags | Export

Group: baker-group - with tag multiscale [313 articles]

Recent papers posted by members of the baker-group group with tag multiscale
  • On the application of the Arlequin method to the coupling of particle and continuum models
    Computational Mechanics, Vol. 42, No. 4. (2008), pp. 511-530.
    by Paul Bauman, Hachmi Dhia, Nadia Elkhodja, J Oden, Serge Prudhomme
    posted to mathematics mechanics multiscale by sobolevnrm to the group baker-group on 2008-07-25 12:06:05 as read
  • Connecting Atomistic-to-Continuum Coupling and Domain Decomposition
    Multiscale Modeling & Simulation, Vol. 7, No. 1. (2008), pp. 362-380.
    by Michael L Parks, Pavel B Bochev, Richard B Lehoucq
    posted to mathematics mechanics multiscale by sobolevnrm to the group baker-group on 2008-06-16 12:19:46 as read
  • Simulation approaches to soft matter: Generic statistical properties vs. chemical details
    Computer Physics Communications, Vol. 179, No. 1-3. (July 2008), pp. 51-60.
    by Matej Praprotnik, Christoph Junghans, Luigi Delle Site, Kurt Kremer
    posted to molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-06-07 15:37:58 as read
  • Tension-induced vesicle fusion: pathways and pore dynamics
    Soft Matter, Vol. 4 (2008), pp. 1208-1214.
    by L Gao, R Lipowsky, J Shillcock
    posted to biomembranes molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-06-04 11:43:25 as read
  • Coarse-grained molecular simulation of diffusion and reaction kinetics in a crowded virtual cytoplasm
    Biophys. J. (30 January 2008), biophysj.107.116053.
    by Douglas Ridgway, Gordon Broderick, Ana Lopez-Campistrous, Melania Ru'aini, Philip Winter, Matthew Hamilton, Pierre Boulanger, Andriy Kovalenko, Michael J Ellison
    posted to diffusion multiscale by sobolevnrm to the group baker-group on 2008-05-27 11:40:19 as read along with 2 people paulschlesinger arjunan
  • Redox entropy of plastocyanin: Developing a microscopic view of mesoscopic polar solvation
    The Journal of Chemical Physics, Vol. 128, No. 15. (2008)
    by David N Lebard, Dmitry V Matyushov
    posted to molecular_simulation multiscale solvation by sobolevnrm to the group baker-group on 2008-05-22 12:03:41 as read
  • A novel algorithm for creating coarse-grained, density dependent implicit solvent models
    The Journal of Chemical Physics, Vol. 128, No. 15. (2008)
    by Erik C Allen, Gregory C Rutledge
    posted to electrostatics molecular_simulation multiscale solvation by sobolevnrm to the group baker-group on 2008-05-22 11:54:29 as read along with 1 person agrossfield
  • Concurrent triple-scale simulation of molecular liquids
    The Journal of Chemical Physics, Vol. 128, No. 11. (2008)
    by Rafael D Buscalioni, Kurt Kremer, Matej Praprotnik
    posted to molecular_simulation multiscale solvation by sobolevnrm to the group baker-group on 2008-05-20 11:35:10 as read
  • The MARTINI Coarse-Grained Force Field: Extension to Proteins
    J. Chem. Theory Comput. (16 April 2008)
    by Luca Monticelli, Senthil K Kandasamy, Xavier Periole, Ronald G Larson, Peter D Tieleman, Siewert-Jan Marrink
    posted to biomembranes molecular_dynamics multiscale by sobolevnrm to the group baker-group on 2008-05-19 11:39:49 as read along with 6 people and 1 group Marine middledomain Ema aqeel DanielParton softsimu Molecular dynamics in MSU
  • Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly
    Structure, Vol. 16, No. 4. (8 April 2008), pp. 621-630.
    by Kathryn A Scott, Peter J Bond, Anthony Ivetac, Alan P Chetwynd, Syma Khalid, Mark S Sansom
    posted to biomembranes ion_channels multiscale by sobolevnrm to the group baker-group on 2008-05-14 12:02:45 as read along with 2 people choonpeng sebk
  • Normal mode partitioning of Langevin dynamics for biomolecules
    The Journal of Chemical Physics, Vol. 128, No. 14. (2008)
    by Christopher R Sweet, Paula Petrone, Vijay S Pande, Jesús A Izaguirre
    posted to molecular_dynamics multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2008-05-12 11:53:54 as read along with 2 people paulschlesinger aqeel
  • Coarse-Graining in Interaction Space: A Systematic Approach for Replacing Long-Range Electrostatics with Short-Range Potentials
    J. Phys. Chem. B (27 March 2008)
    by S Izvekov, JMJ Swanson, GA Voth
    posted to electrostatics multiscale by sobolevnrm to the group baker-group on 2008-05-05 11:18:11 as read along with 2 people softsimu sunhwan
  • Coupled composition-deformation phase-field method for multicomponent lipid membranes
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 76, No. 1. (2007)
    by Chloe M Funkhouser, Francisco J Solis, K Thornton
    posted to biomembranes multiscale by sobolevnrm to the group baker-group on 2008-04-21 11:38:27 as read along with 1 person softsimu
  • A transferable coarse-grained model for hydrogen-bonding liquids
    Physical Chemistry Chemical Physics, Vol. 2008
    by PA Golubkov, JC Wu, P Ren
    posted to multiscale solvation by sobolevnrm to the group baker-group on 2008-03-28 11:01:11 as read
  • Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models
    J. Chem. Theory Comput. (21 February 2008)
    by A Okur, L Wickstrom, C Simmerling
    posted to molecular_dynamics molecular_simulation multiscale solvation by sobolevnrm to the group baker-group on 2008-03-27 10:52:18 as read along with 1 person dmobley
  • Combining Elastic Network Analysis and Molecular Dynamics Simulations by Hamiltonian Replica Exchange
    J. Chem. Theory Comput., Vol. 4, No. 3. (11 March 2008), pp. 477-487.
    by M Zacharias
    posted to molecular_dynamics molecular_simulation multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2008-03-14 11:18:27 as read along with 1 person barry
  • notes Coarse Master Equations for Peptide Folding Dynamics
    J. Phys. Chem. B (31 January 2008)
    by NV Buchete, G Hummer
    posted to kinetics multiscale protein_folding by sobolevnrm to the group baker-group on 2008-02-29 12:18:27 as read along with 2 people apaydin ruvido
  • Unique elastic properties of the spectrin tetramer as revealed by multiscale coarse-grained modeling.
    Proc Natl Acad Sci U S A (17 January 2008)
    by Dina T T Mirijanian, Gregory A A Voth
    posted to cytoskeleton molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-02-27 12:31:09 as read along with 1 person choonpeng
  • Conservative Algorithm for an Adaptive Change of Resolution in Mixed Atomistic/Coarse-Grained Multiscale Simulations
    J. Chem. Theory Comput., Vol. 4, No. 2. (12 February 2008), pp. 217-221.
    by A Heyden, DG Truhlar
    posted to molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-02-27 12:18:27 as read
  • Modeling diffusive dynamics in adaptive resolution simulation of liquid water
    The Journal of Chemical Physics, Vol. 128, No. 2. (2008)
    by Silvina Matysiak, Cecilia Clementi, Matej Praprotnik, Kurt Kremer, Luigi Delle Site
    posted to diffusion kinetics multiscale solvation by sobolevnrm to the group baker-group on 2008-02-18 12:34:37 as read
  • Automated Generation of Reduced Stochastic Weather Models I: Simultaneous Dimension and Model Reduction for Time Series Analysis
    Multiscale Modeling & Simulation, Vol. 6, No. 4. (2008), pp. 1125-1145.
    by Illia Horenko, Rupert Klein, Stamen Dolaptchiev, Christof Schütte
    posted to kinetics multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2008-02-15 12:41:46 as read along with 1 person nurban
  • Variable-free exploration of stochastic models: a gene regulatory network example
    (6 Nov 2006)
    by Radek Erban, Thomas A Frewen, Xiao Wang, Timothy C Elston, Ronald Coifman, Boaz Nadler, Ioannis G Kevrekidis
    posted to kinetics multiscale systems_biology by sobolevnrm to the group baker-group on 2008-02-01 21:23:37 as ***** along with 1 person j_vinals
  • Resolution Exchange Simulation
    Physical Review Letters, Vol. 96, No. 2. (2006)
    by Edward Lyman, Marty F Ytreberg, Daniel M Zuckerman
    posted to molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-01-30 12:48:28 as read along with 1 person qwermish
  • Coarse-grained models of protein folding: toy models or predictive tools?
    Curr Opin Struct Biol (19 December 2007)
    by Cecilia Clementi
    posted to molecular_dynamics molecular_simulation multiscale by sobolevnrm to the group baker-group on 2008-01-30 12:46:07 as read along with 2 people choonpeng nh
  • Adaptive finite element approximation of multiphysics problems
    Communications in Numerical Methods in Engineering, Vol. 9999, No. 9999. (2007), n/a.
    by Mats G Larson, Fredrik Bengzon
    posted to mathematics multiscale by sobolevnrm to the group baker-group on 2008-01-30 12:31:17 as read
  • Phase separation of saturated and mono-unsaturated lipids as determined from a microscopic model
    The Journal of Chemical Physics, Vol. 122, No. 4. (2005)
    by R Elliott, K Katsov, M Schick, I Szleifer
    posted to biomembranes multiscale statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-28 12:51:48 as read along with 1 person paulschlesinger
  • A Quantitative Coarse-Grain Model for Lipid Bilayers
    J. Phys. Chem. B, Vol. 112, No. 3. (24 January 2008), pp. 802-815.
    by M Orsi, DY Haubertin, WE Sanderson, JW Essex
    posted to biomembranes multiscale by sobolevnrm to the group baker-group on 2008-01-25 12:57:48 as read along with 2 people paulschlesinger softsimu
  • Multiscale modeling of materials based on force and charge density fidelity
    The Journal of Chemical Physics, Vol. 127, No. 22. (2007)
    by Aditi Mallik, Keith Runge, James W Dufty, Hai P Cheng
    posted to molecular_simulation multiscale quantum_mechanics by sobolevnrm to the group baker-group on 2008-01-24 12:34:30 as read
  • Coarse-grained models for simulations of multi-protein complexes: Application to ubiquitin binding
    Journal of Molecular Biology, Vol. In Press, Accepted Manuscript
    by Young C Kim, Gerhard Hummer
    posted to multiscale protein-protein_interactions by sobolevnrm to the group baker-group on 2008-01-03 12:50:28 as read along with 3 people and 2 groups barry iantunbridge mikaellund structural_bioinformatics Bioinformatics
  • Coarse-Grained Free Energy Functions for Studying Protein Conformational Changes: A Double-Well Network Model
    Biophys. J., Vol. 93, No. 11. (1 December 2007), pp. 3860-3871.
    by Jhih-Wei Chu, Gregory A Voth
    posted to allostery molecular_simulation multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2007-11-16 00:47:06 as read along with 1 person jlh64
  • Shape transitions in lipid membranes and protein mediated vesicle fusion and fission
    Journal of Chemical Physics, Vol. 126 (2007), 095102.
    by E Atilgan, SX Sun
    posted to biomembranes molecular_simulation multiscale by sobolevnrm to the group baker-group on 2007-11-12 01:00:48 as read
  • Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone
    The Journal of Chemical Physics, Vol. 127, No. 15. (2007)
    by Rajesh K Murarka, Adam Liwo, Harold A Scheraga
    posted to multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2007-11-02 11:12:28 as read
  • Coarse-Grained Biomolecular Simulation with REACH: Realistic Extension Algorithm via Covariance Hessian
    Biophys. J., Vol. 93, No. 10. (15 November 2007), pp. 3460-3469.
    by Kei Moritsugu, Jeremy C Smith
    posted to enhanced_sampling molecular_simulation multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2007-11-01 11:59:51 as read along with 3 people aqeel hmk choonpeng
  • Bidirectional mapping between self-consistent field theory and molecular dynamics: Application to immiscible homopolymer blends
    The Journal of Chemical Physics, Vol. 127, No. 14. (2007)
    by Thomas D Sewell, Kim, Dmitry Bedrov, Grant D Smith, Russell B Thompson
    posted to molecular_simulation multiscale by sobolevnrm to the group baker-group on 2007-10-22 12:50:13 as read
  • Atomic-level structural and functional model of a bacterial photosynthetic membrane vesicle
    Proceedings of the National Academy of Sciences, Vol. 104, No. 40. (2 October 2007), pp. 15723-15728.
    by Melih K Sener, John D Olsen, Neil C Hunter, Klaus Schulten
    posted to biomembranes diffusion multiscale by sobolevnrm to the group baker-group on 2007-10-08 12:55:45 as read along with 1 person carterb
  • Coarse-Grained Protein Model Coupled with a Coarse-Grained Water Model: Molecular Dynamics Study of Polyalanine-Based Peptides
    J. Chem. Theory Comput. (2 October 2007)
    by W Han, YD Wu
    posted to molecular_simulation multiscale protein_folding by sobolevnrm to the group baker-group on 2007-10-08 12:22:49 as read
  • Sampling of near-native protein conformations during protein structure refinement using a coarse-grained model, normal modes, and molecular dynamics simulations
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Andrew W Stumpff-Kane, Katarzyna Maksimiak, Michael S Lee, Michael Feig
    posted to multiscale quasiharmonic-models_elastic-network_gnm_nma_pca_etc by sobolevnrm to the group baker-group on 2007-09-24 13:17:24 as read along with 1 person and 1 group barry structural_bioinformatics
  • Langevin dynamics of molecules with internal rigid fragments in the harmonic regime
    The Journal of Chemical Physics, Vol. 127, No. 10. (2007)
    by Sebnem G Essiz, Rob D Coalson
    posted to quasiharmonic-models_elastic-network_gnm_nma_pca_etc multiscale molecular_simulation diffusion by sobolevnrm to the group baker-group on 2007-09-20 16:53:16 as read
  • Toward the description of electrostatic interactions between globular proteins: Potential of mean force in the primitive model
    The Journal of Chemical Physics, Vol. 127, No. 9. (2007)
    by Vincent Dahirel, Marie Jardat, Jean F Dufrêche, Pierre Turq
    posted to solvation multiscale electrostatics by sobolevnrm to the group baker-group on 2007-09-07 12:57:47 as read
  • Hybrid Hamiltonian replica exchange molecular dynamics simulation method employing the Poisson--Boltzmann model
    The Journal of Chemical Physics, Vol. 127, No. 8. (2007)
    by Yuguang Mu, Ye Yang, Weixin Xu
    posted to solvation multiscale electrostatics by sobolevnrm to the group baker-group on 2007-09-04 12:38:17 as read
  • Physics in the cell: Spring theory
    Nature, Vol. 448, No. 7157. (2007), pp. 984-986.
    by Brendan Maher
    posted to nucleic_acids multiscale by sobolevnrm to the group baker-group on 2007-08-30 12:13:45 as read
  • Coarse-Graining the Accessible Surface and the Electrostatics of Proteins for Protein-Protein Interactions
    J. Chem. Theory Comput. (24 August 2007)
    by F Pizzitutti, M Marchi, D Borgis
    posted to solvation multiscale electrostatics by sobolevnrm to the group baker-group on 2007-08-27 12:22:06 as read
  • Demonstrated Convergence of the Equilibrium Ensemble for a Fast United-Residue Protein Model
    J. Chem. Theory Comput. (25 August 2007)
    by FM Ytreberg, Aroutiounian, DM Zuckerman
    posted to multiscale molecular_simulation by sobolevnrm to the group baker-group on 2007-08-27 11:45:45 as read
  • Assembly of Lipids and Proteins into Lipoprotein Particles
    Journal of Physical Chemistry B (in press)
    by AY Shih, A Arkhipov, PL Freddolino, SG Sligar, K Schulten
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-08-15 12:42:05 as read
  • G Protein-Coupled Receptors Self-Assemble in Dynamics Simulations of Model Bilayers
    Journal of the American Chemical Society, Vol. 129, No. 33. (2007), pp. 10126-32.
    by X Periole, T Huber, SJ Marrink, TP Sakmar
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-08-15 12:42:05 as read
  • Role of molecular tilt in thermal fluctuations of lipid membranes
    Physical Review E, Vol. 76 (2007)
    by ER May, A Narang, DI Kopelevich
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-08-13 12:46:07 as read
  • Coarse-grained molecular dynamics simulations of membrane proteins and peptides
    Journal of Structural Biology, Vol. 157, No. 3. (2007), pp. 593-605.
    by PJ Bond, J Holyoake, A Ivetac, S Khalid, MSP Sansom
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-08-06 14:33:02 as read along with 1 person and 2 groups barry structural_bioinformatics Bioinformatics
  • Insertion and Assembly of Membrane Proteins via Simulation
    Journal of the American Chemical Society, Vol. 128, No. 8. (2006), pp. 2697-704.
    by PJ Bond, MSP Sansom
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-08-06 14:33:02 as read
  • Efficient Monte Carlo sampling by parallel marginalization
    Proceedings of the National Academy of Sciences of the United States of America (in press)
    by J Weare
    posted to multiscale molecular_simulation by sobolevnrm to the group baker-group on 2007-07-20 13:13:34 as read
  • Phase and Mixing Behavior in Two-Component Lipid Bilayers: A Molecular Dynamics Study in DLPC/DSPC Mixtures
    Journal of Physical Chemistry B (in press)
    by SV Bennun, M Longo, R Faller
    posted to multiscale biomembranes by sobolevnrm to the group baker-group on 2007-07-17 14:19:03 as read
    • Du kan hänvisa till den här sidan som: http://www.citeulike.org/group/2608/tag/multiscale

    Result page: 1 2 3 4 5 6 7 Next RIS BibTeX
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.