Effect of intrinsic and extrinsic factors on the simulated D-band length of type I collagen

Application of molecular simulation to investigate chrome(III)-crosslinked collagen problems

(2014) Yun-Qiao Ding et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Variation in the Helical Structure of Native Collagen

(2014) Joseph P. R. O. Orgel et al.   PLoS One

Role of methyl-induced polarization in ion binding

(2013) M. Rossi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements

(2012) Kyle A. Beauchamp et al.   Journal of Chemical Theory and Computation

Multiscale Model of Collagen Fibril in Bone: Elastic Response

(2012) Shashindra M. Pradhan et al.   JOURNAL OF ENGINEERING MECHANICS

Nonintercalating Nanosubstrates Create Asymmetry between Bilayer Leaflets

(2012) Sameer Varma et al.   LANGMUIR

Systematic Validation of Protein Force Fields against Experimental Data

(2012) Kresten Lindorff-Larsen et al.   PLoS One

Mechanical Properties of Type I Collagen: Insights From Molecular Dynamics Simulations

(2011) Paul Tumaneng et al.   BIOPHYSICAL JOURNAL

How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

(2011) Stefano Piana et al.   BIOPHYSICAL JOURNAL

Hierarchical Structure and Nanomechanics of Collagen Microfibrils from the Atomistic Scale Up

(2011) Alfonso Gautieri et al.   NANO LETTERS

A molecular dynamics study of the interprotein interactions in collagen fibrils

(2011) Ian Streeter et al.   Soft Matter

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Molecular and structural mapping of collagen fibril interactions

(2010) J. P. R. O. Orgel et al.   CONNECTIVE TISSUE RESEARCH

In SituD-periodic Molecular Structure of Type II Collagen

(2010) Olga Antipova et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Atomistic Modeling of Collagen Proteins in Their Fibrillar Environment

(2010) Ian Streeter et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evaluating Molecular Mechanical Potentials for Helical Peptides and Proteins

(2010) Erik J. Thompson et al.   PLoS One

The Collagen Family

(2010) S. Ricard-Blum   Cold Spring Harbor Perspectives in Biology

Collagen Structure and Stability

(2009) Matthew D. Shoulders et al.   Annual Review of Biochemistry

Secondary Structure Propensities in Peptide Folding Simulations: A Systematic Comparison of Molecular Mechanics Interaction Schemes

(2009) Dirk Matthes et al.   BIOPHYSICAL JOURNAL

Are Current Molecular Dynamics Force Fields too Helical?

(2008) Robert B. Best et al.   BIOPHYSICAL JOURNAL

Is Alanine Dipeptide a Good Model for Representing the Torsional Preferences of Protein Backbones?

(2008) Michael Feig   Journal of Chemical Theory and Computation

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Effect of glycosylation on protein folding: A close look at thermodynamic stabilization

(2008) D. Shental-Bechor et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation