Molecular modeling of hair keratin/peptide complex: Using MM-PBSA calculations to describe experimental binding results

Coiled-coil intermediate filament stutter instability and molecular unfolding

(2011) Melis Arslan et al.   COMPUTER METHODS IN BIOMECHANICS AND BIOMEDICAL ENGINEERING

Virtual screening using molecular simulations

(2011) Tianyi Yang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models

(2010) Zhao Qin et al.   JOURNAL OF MOLECULAR MODELING

Atomic structure of vimentin coil 2

(2010) Stefan Nicolet et al.   JOURNAL OF STRUCTURAL BIOLOGY

Vimentin Coil 1A—A Molecular Switch Involved in the Initiation of Filament Elongation

(2009) Markus Meier et al.   JOURNAL OF MOLECULAR BIOLOGY

Challenges in pKaPredictions for Proteins: The case of Asp213 in Human Proteinase 3†

(2009) Eric Hajjar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hierarchical Structure Controls Nanomechanical Properties of Vimentin Intermediate Filaments

(2009) Zhao Qin et al.   PLoS One

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

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

Fifty years of coiled-coils and α-helical bundles: A close relationship between sequence and structure

(2008) David A.D. Parry et al.   JOURNAL OF STRUCTURAL BIOLOGY

The SWISS-MODEL Repository and associated resources

(2008) F. Kiefer et al.   NUCLEIC ACIDS RESEARCH

Three-dimensional modelling of interchain sequence similarities and differences in the coiled-coil segments of keratin intermediate filament heterodimers highlight features important in assembly

(2007) Thomasin A. Smith et al.   JOURNAL OF STRUCTURAL BIOLOGY