Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse Grained Model

A molecular dynamics study of the thermal response of crystalline cellulose Iβ

(2011) Qiong Zhang et al.   CELLULOSE

Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail

(2011) Herre Jelger Risselada et al.   CHEMBIOCHEM

Coarse-Grain Model for Glucose, Cellobiose, and Cellotetraose in Water

(2011) Antti-Pekka Hynninen et al.   Journal of Chemical Theory and Computation

A Coarse-Grained Model for Molecular Dynamics Simulations of Native Cellulose

(2011) Jakob Wohlert et al.   Journal of Chemical Theory and Computation

A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils

(2011) Goundla Srinivas et al.   Journal of Chemical Theory and Computation

Application of molecular dynamics simulations in molecular property prediction II: Diffusion coefficient

(2011) Junmei Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme

(2011) Lin Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations

(2011) Sami Paavilainen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Influence of Hydrophobic Mismatch and Amino Acid Composition on the Lateral Diffusion of Transmembrane Peptides

(2010) Sivaramakrishnan Ramadurai et al.   BIOPHYSICAL JOURNAL

Coarse-Grained Representations of Large Biomolecular Complexes from Low-Resolution Structural Data

(2010) Zhiyong Zhang et al.   Journal of Chemical Theory and Computation

A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers

(2010) Halvor S. Hansen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors

(2010) Brad A. Bauer et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Simulations of Dodecyl-β-maltoside Micelles in Water: Influence of the Headgroup Conformation and Force Field Parameters

(2010) Stéphane Abel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Stability of Cellulose: A Statistical Perspective from a Coarse-Grained Model of Hydrogen-Bond Networks

(2009) Tongye Shen et al.   BIOPHYSICAL JOURNAL

Defining Coarse-Grained Representations of Large Biomolecules and Biomolecular Complexes from Elastic Network Models

(2009) Zhiyong Zhang et al.   BIOPHYSICAL JOURNAL

Lateral pressure profiles in lipid monolayers

(2009) Svetlana Baoukina et al.   FARADAY DISCUSSIONS

Concerted diffusion of lipids in raft-like membranes

(2009) Touko Apajalahti et al.   FARADAY DISCUSSIONS

Martini Coarse-Grained Force Field: Extension to Carbohydrates

(2009) Cesar A. López et al.   Journal of Chemical Theory and Computation

The freezing process of small lipid vesicles at molecular resolution

(2009) H. Jelger Risselada et al.   Soft Matter

Four-Scale Description of Membrane Sculpting by BAR Domains

(2008) Anton Arkhipov et al.   BIOPHYSICAL JOURNAL

Structural stability of the solvated cellulose IIII crystal models: a molecular dynamics study

(2008) Toshofumi Yui et al.   CELLULOSE

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

The molecular face of lipid rafts in model membranes

(2008) H. J. Risselada et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA