Publications
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2009. Mean field and the confined single homopolymer. Mol. Phys.. 107:1303–1312.
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1984. Mathematical models of depolymerization of amylose by alpha-amylases. Biopolymers. 23:1735–1756.
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1982. Mathematical modelling of endoglucanase-catalysed hydrolysis of a linear polysaccharide. Mol. Biol.. 16:499–510.
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2006. Mapping a Homopolymer onto a Model Fluid. J. Chem. Phys.. 125:064906.
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2013. MANHaptic: A Haptic Adaptive Method for Precise Manipulation, Assembly \and Navigation. International Journal on Human Machine Interaction. 1:60–67.
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2018. The major β-catenin/E-cadherin junctional binding site is a primary molecular mechano-transductor of differentiation .. Elife. 7
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2012. Magnitude and molecular origin of water slowdown next to a protein. J. Am. Chem. Soc.. 134:4116–4119.
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2000. M3+ lanthanide cation solvation by acetonitrile: The role of cation size, counterions, and polarization effects investigated by molecular dynamics and quantum mechanical simulations. J. Phys. Chem. A. 104:7659–7671.
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2010. Multi-resolution approach for interactively locating functionally linked ion binding sites by steering small molecules into electrostatic potential maps using a haptic device. Pac. Symp. Biocomput.. :205–215.
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2013. Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
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2005. Molecular tuning of fast gating in pentameric ligand-gated ion channels. Proc. Natl. Acad. Sci. U.s.a.. 102:18207–18212.
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2014. Molecular simulations and visualization: introduction and overview. Faraday Discuss.. 169:9–22.
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2009. Modeling the Mechanical Response of Proteins to Anisotropic Deformation. Chemphyschem. 10:115–118.
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2010. Modeling the early stage of DNA sequence recognition within RecA nucleoprotein filaments. Nucleic Acids Res.. 38:6313–6323.
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2010. Low molecular weight oligomers of amyloid peptides display beta-barrel conformations: A replica exchange molecular dynamics study in explicit solvent. J. Chem. Phys.. 132:165103.
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1998. The loop opening/closing motion of the enzyme triosephosphate isomerase. Biophys. J.. 74:72–81.
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1995. LONG TIMESTEP DYNAMICS OF PEPTIDES BY THE DYNAMICS DRIVER APPROACH. Proteins-structure Function and Genetics. 21:282–302.
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2007. Locating the active sites of enzymes using mechanical properties. Proteins: Struct., Funct., Bioinf.. 67:350–359.
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2003. Local structure in nematic and isotropic liquid crystals. J. Chem. Phys.. 119:1214–1222.
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2011. Local elasticity of strained DNA studied by all-atom simulations. Phys. Rev. E. 84:021903.
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2015. Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure. Proc. Natl. Acad. Sci. U.s.a.. 112:2865–2870.
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2014. Lipid concentration and molar ratio boundaries for the use of isotropic bicelles.. Langmuir. 30:6162–6170.
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1988. Linkage of organic phosphates to oxygen binding in human hemoglobin at high concentrations. Biochemistry. 27:6835–6843.
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2003. Linear response and electron transfer in complex biomolecules systems and Reaction Center Protein. J. Phys. Chem. B. 107:11208–11215.
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2012. Ligand-gated ion channels: new insights into neurological disorders and ligand recognition. Chem. Rev.. 112:6285–6318.