Publications
] .
2016. Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides. J. Chem. Phys.. 144
.
2001. Lanthanide cation binding to a phosphoryl-calix[4]arene: the importance of solvent and counterions investigated by molecular dynamics and quantum mechanical simulations. Phys. Chem. Chem. Phys.. 3:1317–1325.
.
2014. Long distance effect on ligand-gated ion channels extracellular domain may affect interactions with the intracellular machinery. Commun. Integr. Biol.. 7:e27984.
.
1999. Left-handed DNA crossovers. Implications for DNA-DNA recognition and structural alterations. J. Biomol. Struct. Dyn.. 16:775–785.
.
2004. The KNOTTIN website and database: a new information system dedicated to the knottin scaffold. Nucleic Acids Res.. 32:D156-D159.
.
2008. KNOTTIN: the knottin or inhibitor cystine knot scaffold in 2007. Nucleic Acids Res.. 36:D314-D319.
.
1992. Kinetics of pore-mediated release of marker molecules from liposomes or cells. Biophys. Chem.. 42:291–296.
.
1983. Kinetics of glucose accumulation during depolimerization of polysaccharides by enzymes with different mechanisms of action. Mol. Biol.. 17:101–111.
.
2009. Kinetic and thermodynamic DNA elasticity at micro- and mesoscopic scales. J. Phys. Chem. B. 113:2077–2089.
.
2009. Key role of proximal water in regulating thermostable proteins. J. Phys. Chem. B. 113:131–7.
.
2009. Joint Evolutionary Trees: A Large-Scale Method To Predict Protein Interfaces Based on Sequence Sampling. Plos Comput. Biol.. 5:e1000267.
.
2023. It Takes Tau to Tango: Investigating the Fuzzy Interaction between the R2-Repeat Domain and Tubulin C-Terminal Tails. Biochemistry. 62:2492–2502.
.
1986. Ion-Molecule reaction in the gas phase part VI Regioselective SN2 reaction from terpenoid diastereoisomeric diols using CI/NH 4+. Helv. Chim. Acta. 69:806–815.
.
2008. Ion dynamics and water percolation effects in DNA polymorphism. J. Am. Chem. Soc.. 130:121–131.
.
2019. Involvement of the GABAA receptor α subunit in the mode of action of etifoxine. Pharmacological research. 145:104250.
.
2012. Involvement of the cysteine-rich head domain in activation and desensitization of the P2X1 receptor. Proceedings of the National Academy of Sciences of the United States of America. 109:11396–11401.
.
1995. Investigation of the conformational properties of a {$\beta$}-(1-3) branched {$\beta$}-(1-6) heptasacchardie elicitor and its analogues by internal coordinate stochastic dynamics. Carbohydr. Res.. 279:41–57.
.
1993. Investigation of conformational equilibrium of polypeptides by internal coordinate stochastic dynamics: Met-enkephalin. J. Biomol. Struct. Dyn.. 10:143–167.
.
2015. Investigating the Structural Variability and Binding Modes of the Glioma Targeting NFL-TBS.40-63 Peptide on Tubulin. Biochemistry. 54:3660–3669.
.
2006. Investigating the local flexibility of functional residues in hemoproteins. Biophys. J.. 90:2706–2717.
.
2011. Intrinsic Determinants of A beta(12-24) pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies. Plos One. 6:e24329.
.
1999. Internal correlations in minor groove profiles of experimental and computed B-DNA conformations. J. Mol. Biol.. 290:373–377.
.
2001. Internal coordinate simulation method. Computational Biochemistry and Biophysics. :115–131.
.
2001. Internal coordinate phase space analysis of macromolecular systems. Comput. Theor. Polym. Sci.. 11:35–47.