Structures of mesophilic and extremophilic citrate synthases reveal rigidity and flexibility for function

Coarse-Graining Methods for Computational Biology

(2013) Marissa G. Saunders et al.   Annual Review of Biophysics

Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

(2013) Marc W. van der Kamp et al.   BIOCHEMISTRY

High-resolution NMR studies of structure and dynamics of human ERp27 indicate extensive interdomain flexibility

(2012) Nader T. Amin et al.   BIOCHEMICAL JOURNAL

NMSim Web Server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins

(2012) D. M. Kruger et al.   NUCLEIC ACIDS RESEARCH

Rapid simulation of protein motion: merging flexibility, rigidity and normal mode analyses

(2012) J E Jimenez-Roldan et al.   PHYSICAL BIOLOGY

Protein flexibility is key to cisplatin crosslinking in calmodulin

(2012) Huilin Li et al.   PROTEIN SCIENCE

Exploring Peptide-Membrane Interactions with Coarse-Grained MD Simulations

(2011) Benjamin A. Hall et al.   BIOPHYSICAL JOURNAL

Contribution of inter-subunit interactions to the thermostability of Pyrococcus furiosus citrate synthase

(2011) Vicky Moore et al.   EXTREMOPHILES

A Normal Mode-Based Geometric Simulation Approach for Exploring Biologically Relevant Conformational Transitions in Proteins

(2011) Aqeel Ahmed et al.   Journal of Chemical Information and Modeling

Characterizing protein motions from structure

(2011) Charles C. David et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Molecular Simulation Approaches to Membrane Proteins

(2011) Phillip J. Stansfeld et al.   STRUCTURE

Generating stereochemically acceptable protein pathways

(2010) Daniel W. Farrell et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Protein rigidity and thermophilic adaptation

(2010) Sebastian Radestock et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Biomolecular simulation and modelling: status, progress and prospects

(2008) M. W van der Kamp et al.   Journal of the Royal Society Interface