Related references
Note: Only part of the references are listed.Multi-Resolution Simulation of Biomolecular Systems: A Review of Methodological Issues
Katharina Meier et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Does Microsecond Sugar Ring Flexing Encode 3D-Shape and Bioactivity in the Heparanome?
Benedict M. Sattelle et al.
BIOMACROMOLECULES (2013)
Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose
Sergiy Markutsya et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION
Nathalie Basdevant et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Solvent Free Ionic Solution Models from Multiscale Coarse-Graining
Zhen Cao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
PaLaCe: A Coarse-Grain Protein Model for Studying Mechanical Properties
Marco Pasi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Hybrid Approach for Highly Coarse-Grained Lipid Bilayer Models
Anand Srivastava et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Improved Parameters for the Martini Coarse-Grained Protein Force Field
Djurre H. de Jong et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
MagiC: Software Package for Multiscale Modeling
Alexander Mirzoev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
PRIMO: A Transferable Coarse-Grained Force Field for Proteins
Parimal Kar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Martini Force Field Parameters for Glycolipids
Cesar A. Lopez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Mixing MARTINI: Electrostatic Coupling in Hybrid Atomistic-Coarse-Grained Biomolecular Simulations
Tsjerk A. Wassenaar et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Molecular Dynamics Simulations of DPPC Bilayers Using LIME, a New Coarse-Grained Model
Emily M. Curtis et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Optimization of an Elastic Network Augmented Coarse Grained Model to Study CCMV Capsid Deformation
Christoph Globisch et al.
PLOS ONE (2013)
Systematic coarse-graining methods for soft matter simulations - a review
Emiliano Brini et al.
SOFT MATTER (2013)
Identification of cardiolipin binding sites on cytochrome c oxidase at the entrance of proton channels
C. Arnarez et al.
SCIENTIFIC REPORTS (2013)
Computational microscopy of cyclodextrin mediated cholesterol extraction from lipid model membranes
Cesar A. Lopez et al.
SCIENTIFIC REPORTS (2013)
Recent successes in coarse-grained modeling of DNA
Davit A. Potoyan et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2013)
Biomolecular Simulation: A Computational Microscope for Molecular Biology
Ron O. Dror et al.
ANNUAL REVIEW OF BIOPHYSICS, VOL 41 (2012)
Transmembrane helices can induce domain formation in crowded model membranes
Jan Domanski et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2012)
In Silico Design of Robust Bolalipid Membranes
Monica Bulacu et al.
BIOMACROMOLECULES (2012)
Molecular Structure of Membrane Tethers
Svetlana Baoukina et al.
BIOPHYSICAL JOURNAL (2012)
Sequence-dependent thermodynamics of a coarse-grained DNA model
Petr Sulc et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Chemically transferable coarse-grained potentials from conditional reversible work calculations
E. Brini et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores
Pablo M. De Biase et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Further Optimization of a Hybrid United-Atom and Coarse-Grained Force Field for Folding Simulations: Improved Backbone Hydration and Interactions between Charged Side Chains
Wei Han et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Dimerization of Amino Acid Side Chains: Lessons from the Comparison of Different Force Fields
Djurre H. de Jong et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Mixing Atomistic and Coarse Grain Solvation Models for MD Simulations: Let WT4 Handle the Bulk
Leonardo Darre et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Coarse-Grained Model for the Interconversion between Native and Liquid Ammonia-Treated Crystalline Cellulose
Giovanni Bellesia et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
The Coarse-Grained OPEP Force Field for Non-Amyloid and Amyloid Proteins
Yassmine Chebaro et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
AWSEM-MD: Protein Structure Prediction Using Coarse-Grained Physical Potentials and Bioinformatically Based Local Structure Biasing
Aram Davtyan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers through Computational Calorimetry
Jocelyn M. Rodgers et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Structural Determinants of the Supramolecular Organization of G Protein-Coupled Receptors in Bilayers
Xavier Periole et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Coarse-grained molecular models of water: a review
Kevin R. Hadley et al.
MOLECULAR SIMULATION (2012)
Predictive energy landscapes for protein-protein association
Weihua Zheng et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Coarse-grained models of water
Leonardo Darre et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites
Juan J. de Pablo
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 (2011)
Protein Shape Change Has a Major Effect on the Gating Energy of a Mechanosensitive Channel
O. H. Samuli Ollila et al.
BIOPHYSICAL JOURNAL (2011)
Membrane Tension, Lipid Adaptation, Conformational Changes, and Energetics in MscL Gating
Huan Ru et al.
BIOPHYSICAL JOURNAL (2011)
Computational approaches to RNA structure prediction, analysis, and design
Christian Laing et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2011)
Moving beyond Watson-Crick models of coarse grained DNA dynamics
Margaret C. Linak et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations
Sereina Riniker et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Coarse-graining errors and numerical optimization using a relative entropy framework
Aviel Chaimovich et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model
Thomas E. Ouldridge et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A coarse-grain three-site-per-nucleotide model for DNA with explicit ions
Gordon S. Freeman et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations
Phillip J. Stansfeld et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Assessing the Quality of the OPEP Coarse-Grained Force Field
Alessandro Barducci et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Using the Wimley-White Hydrophobicity Scale as a Direct Quantitative Test of Force Fields: The MARTINI Coarse-Grained Model
Gurpreet Singh et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
A Coarse-Grained Model for Molecular Dynamics Simulations of Native Cellulose
Jakob Wohlert et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils
Goundla Srinivas et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Combining a Polarizable Force-Field and a Coarse-Grained Polarizable Solvent Model. II. Accounting for Hydrophobic Effects
Michel Masella et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
PDZ Binding to the BAR Domain of PICK1 is Elucidated by Coarse-grained Molecular Dynamics
Yi He et al.
JOURNAL OF MOLECULAR BIOLOGY (2011)
The CUMULUS Coarse Graining Method: Transferable Potentials for Water and Solutes
Bram van Hoof et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
A Coarse-Grained Model of DNA with Explicit Solvation by Water and Ions
Robert C. DeMille et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites
Andrzej J. Rzepiela et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Multiscale modeling of biological functions
Shina Caroline Lynn Kamerlin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Coarse-grained force field: general folding theory
Adam Liwo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Lipid packing drives the segregation of transmembrane helices into disordered lipid domains in model membranes
Lars V. Schaefer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
How Fast-Folding Proteins Fold
Kresten Lindorff-Larsen et al.
SCIENCE (2011)
Nanoscale carbon particles and the stability of lipid bilayers
Arben Jusufi et al.
SOFT MATTER (2011)
Recent development in computer simulations of lipid bilayers
Alexander P. Lyubartsev et al.
SOFT MATTER (2011)
Capturing the essence of folding and functions of biomolecules using coarse-grained models
Changbong Hyeon et al.
NATURE COMMUNICATIONS (2011)
A systematically coarse-grained model for DNA and its predictions for persistence length, stacking, twist, and chirality
Alex Morriss-Andrews et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
An implicit solvent coarse-grained lipid model with correct stress profile
Alex J. Sodt et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A Coarse Grained Model for Atomic-Detailed DNA Simulations with Explicit Electrostatics
Pablo D. Dans et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
A Coarse-Grained Model Based on Morse Potential for Water and n-Alkanes
See-Wing Chiu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Another Coarse Grain Model for Aqueous Solvation: WAT FOUR?
Leonardo Darre et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Mechanism of Fiber Assembly: Treatment of Aβ Peptide Aggregation with a Coarse-Grained United-Residue Force Field
Ana Rojas et al.
JOURNAL OF MOLECULAR BIOLOGY (2010)
Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
Gia G. Maisuradze et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions
Zhe Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
On the Investigation of Coarse-Grained Models for Water: Balancing Computational Efficiency and the Retention of Structural Properties
Kevin R. Hadley et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Coarse-Grained Model for Simulation of RNA Three-Dimensional Structures
Zhen Xia et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field
Wataru Shinoda et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
A Systematically Coarse-Grained Solvent-Free Model for Quantitative Phospholipid Bilayer Simulations
Zun-Jing Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
HiRE-RNA: A High Resolution Coarse-Grained Energy Model for RNA
Samuela Pasquali et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Interplay between Secondary and Tertiary Structure Formation in Protein Folding Cooperativity
Tristan Bereau et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Exploring the utility of coarse-grained water models for computational studies of interfacial systems
Xibing He et al.
MOLECULAR PHYSICS (2010)
Recent progress in adaptive multiscale molecular dynamics simulations of soft matter
Steven O. Nielsen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
DNA Nanotweezers Studied with a Coarse-Grained Model of DNA
Thomas E. Ouldridge et al.
PHYSICAL REVIEW LETTERS (2010)
Release of content through mechano-sensitive gates in pressurized liposomes
Martti Louhivuori et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy
Srinivasa M. Gopal et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Polarizable Water Model for the Coarse-Grained MARTINI Force Field
Semen O. Yesylevskyy et al.
PLOS COMPUTATIONAL BIOLOGY (2010)
A Mesoscale Model of DNA and Its Renaturation
E. J. Sambriski et al.
BIOPHYSICAL JOURNAL (2009)
A polarizable coarse-grained water model for coarse-grained proteins simulations
Tap Ha-Duong et al.
CHEMICAL PHYSICS LETTERS (2009)
Coarse-grained modeling of lipids
Sandra V. Bennun et al.
CHEMISTRY AND PHYSICS OF LIPIDS (2009)
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
Han Wang et al.
EUROPEAN PHYSICAL JOURNAL E (2009)
Insights from Coarse-Grained Go Models for Protein Folding and Dynamics
Ronald D. Hills et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)
Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials
Robert C. DeMille et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Extended ensemble approach for deriving transferable coarse-grained potentials
J. W. Mullinax et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Generic coarse-grained model for protein folding and aggregation
Tristan Bereau et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Martini Coarse-Grained Force Field: Extension to Carbohydrates
Cesar A. Lopez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
Victor Ruehle et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition
Xavier Periole et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent
Yassmine Chebaro et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Hybrid Coarse-Graining Approach for Lipid Bilayers at Large Length and Time Scales
Gary S. Ayton et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Systematic Coarse-graining of a Multicomponent Lipid Bilayer
Lanyuan Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Mesoscopic Membrane Physics: Concepts, Simulations, and Selected Applications
Markus Deserno
MACROMOLECULAR RAPID COMMUNICATIONS (2009)
Multiscale modeling of emergent materials: biological and soft matter
Teemu Murtola et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Uncovering pathways in DNA oligonucleotide hybridization via transition state analysis
E. J. Sambriski et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Effect of cholesterol on the structure of a phospholipid bilayer
Frederick de Meyer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Multiscale characterization of protein conformational ensembles
Amarda Shehu et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2009)
Multiscale simulation of soft matter systems - from the atomistic to the coarse-grained level and back
Christine Peter et al.
SOFT MATTER (2009)
Discovery Through the Computational Microscope
Eric H. Lee et al.
STRUCTURE (2009)
Mechanosensitive membrane channels in action
Serge Yefimov et al.
BIOPHYSICAL JOURNAL (2008)
A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules
Zhiyong Zhang et al.
BIOPHYSICAL JOURNAL (2008)
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
W. G. Noid et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The MARTINI coarse-grained force field: Extension to proteins
Luca Monticelli et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Prediction of partition coefficients by multiscale hybrid atomic-level/coarse-grain simulations
Julien Michel et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
A quantitative coarse-grain model for lipid bilayers
Mario Orsi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Cholesterol shows preference for the interior of polyunsaturated lipid
Siewert J. Marrink et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
The molecular face of lipid rafts in model membranes
H. Jelger Risselada et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Ab initio RNA folding by discrete molecular dynamics: From structure prediction to folding mechanisms
Feng Ding et al.
RNA (2008)
A coarse-grained protein force field for folding and structure prediction
Julien Maupetit et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2007)
Multiscale coarse-graining of monosaccharides
Pu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Coarse-graining the accessible surface and the electrostatics of proteins for protein-protein interactions
Francesco Pizzitutti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
G protein-coupled receptors self-assemble in dynamics simulations of model bilayers
Xavier Periole et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
A coarse-grained protein-protein potential derived from an all-atom force field
Nathalie Basdevant et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
The MARTINI force field: Coarse grained model for biomolecular simulations
Siewert J. Marrink et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Representability problems for coarse-grained water potentials
Margaret E. Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Multiscale modeling of biomolecular systems: in serial and in parallel
Gary S. Ayton et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2007)
A coarse grain model for DNA
Thomas A. Knotts et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Molecular dynamics with the united-residue force field: Ab initio folding simulations of multichain proteins
Ana V. Rojas et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Computational Simulations of the Early Steps of Protein Aggregation
Guanghong Wei et al.
PRION (2007)
Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants
W. Shinoda et al.
MOLECULAR SIMULATION (2007)
Coarse-grained molecular dynamics simulations of membrane proteins and peptides
Peter J. Bond et al.
JOURNAL OF STRUCTURAL BIOLOGY (2007)
Mesoscopic models of biological membranes
Maddalena Venturoli et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2006)
Biological and synthetic membranes:: What can be learned from a coarse-grained description?
Marcus Mueller et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2006)
Structural monitoring of oligosaccharides through 13C enrichment and NMR observation of acetyl groups
Fei Yu et al.
BIOPHYSICAL JOURNAL (2006)
Multiscale coarse-graining of mixed phospholipid/cholesterol bilayers
Sergei Izvekov et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Implicit solvent simulation models for biomembranes
G Brannigan et al.
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2006)
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly
M Praprotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Multiscale modeling of lipids and lipid bilayers
AP Lyubartsev
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2005)
Coarse-grained model of proteins incorporating atomistic detail of the active site
M Neri et al.
PHYSICAL REVIEW LETTERS (2005)
A light-actuated nanovalve derived from a channel protein
A Koçer et al.
SCIENCE (2005)
A coarse-grained molecular model for glycosaminoglycans: Application to chondroitin, chondroitin sulfate, and hyaluronic acid
M Bathe et al.
BIOPHYSICAL JOURNAL (2005)
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
S Oldziej et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Phase behavior of model lipid bilayers
M Kranenburg et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
A multiscale coarse-graining method for biomolecular systems
S Izvekov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains
A Liwo et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
M3B: A coarse grain force field for molecular simulations of malto-oligosaccharides and their water mixtures
V Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Coarse grained model for semiquantitative lipid simulations
SJ Marrink et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Protein topology determines binding mechanism
Y Levy et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Comparison of mesoscopic phospholipid-water models
M Kranenburg et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Molecular dynamics simulation of the formation, structure, and dynamics of small phospholipid vesicles
SJ Marrink et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Deriving effective mesoscale potentials from atomistic simulations
D Reith et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Minimalist models for protein folding and design
T Head-Gordon et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2003)
Absolute comparison of simulated and experimental protein-folding dynamics
CD Snow et al.
NATURE (2002)
Conformational studies of oligosaccharides and glycopeptides: Complementarity of NMR, X-ray crystallography, and molecular modelling
MR Wormald et al.
CHEMICAL REVIEWS (2002)
Roles of native topology and chain-length scaling in protein folding: A simulation study with a Go-like model
N Koga et al.
JOURNAL OF MOLECULAR BIOLOGY (2001)
Molecular dynamics simulations of wild-type and mutant forms of the Mycobacterium tuberculosis MscL channel
DE Elmore et al.
BIOPHYSICAL JOURNAL (2001)
A coarse grain model for phospholipid simulations
JC Shelley et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Structural determinants of MscL gating studied by molecular dynamics simulations
J Gullingsrud et al.
BIOPHYSICAL JOURNAL (2001)
Modes simulations of DNA denaturation dynamics
K Drukker et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Carbohydrate structural determination by NMR spectroscopy: Modern methods and limitations
JO Duus et al.
CHEMICAL REVIEWS (2000)
Share Paper
