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Conformational change of proteins arising from normal mode calculations.
A normal mode analysis of 20 proteins in 'open' or 'closed' forms was performed using simple potential and protein models. The quality of the results was found to depend upon the form of the proteinExpand
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Building-block approach for determining low-frequency normal modes of macromolecules.
Normal mode analysis of proteins of various sizes, ranging from 46 (crambin) up to 858 residues (dimeric citrate synthase) were performed, by using standard approaches, as well as a recently proposedExpand
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Molecular dynamics simulation shows large volume fluctuations of proteins
Abstract In this paper we present a new approach to study the volume fluctuations of proteins. From a 1 ns molecular dynamics simulation, the volume fluctuation of human lysozyme has been calculated.Expand
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Local thermodynamics of the water molecules around single- and double-stranded DNA studied by grid inhomogeneous solvation theory
Abstract Thermodynamic properties of water molecules around single- and double-stranded DNAs (ssDNAs and dsDNAs) with different sequences were investigated using grid inhomogeneous solvation theory.Expand
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Normal Mode Analysis Techniques in Structural Biology
The dynamic simulation of macromolecular systems with biologically relevant sizes and time scales is critical for understanding macromolecular function. In this context, normal mode analysis (NMA)Expand
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Contributory presentations/posters
Shape equations for phospholipid vesicles including a spherical actin cortex are derived in 2 and 3 spatial dimensions. They arise from the condition of stationarity of the membrane free energy atExpand