Comparative molecular dynamics simulation studies for determining factors contributing to the thermostability of chemotaxis protein “CheY”

Structural Determinants ofV. choleraeCheYs that Discriminate them in FliM binding: Comparative Modeling and MD Simulation Studies

(2012) Jhimli Dasgupta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

On the inverse temperature transition and development of an entropic elastomeric force of the elastin mimetic peptide [LGGVG]3, 7

(2012) Jiaxin Huang et al.   JOURNAL OF CHEMICAL PHYSICS

The Presence of the Iron-Sulfur Motif Is Important for the Conformational Stability of the Antiviral Protein, Viperin

(2012) Shubhasis Haldar et al.   PLoS One

Structural study of carboxylesterase from hyperthermophilic bacteria Geobacillus stearothermophilus by molecular dynamics simulation

(2010) Sangeeta Kundu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Crystal structures of CheY from Thermotoga maritima do not support conventional explanations for the structural basis of enhanced thermostability

(2010) Ken C. Usher et al.   PROTEIN SCIENCE

Comparative structural studies of psychrophilic and mesophilic protein homologues by molecular dynamics simulation

(2009) Sangeeta Kundu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Exploring the Molecular Design of Protein Interaction Sites with Molecular Dynamics Simulations and Free Energy Calculations†

(2008) Shide Liang et al.   BIOCHEMISTRY

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

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