Publications
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1993. Multiple attack in the porcine pancreatic alpha-amylase hydrolysis of amylose and amylopectine. Arch. Biochem. Biophys.. 306:29–38.
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2010. Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain.. Proc. Natl. Acad. Sci. U.s.a.. 107:14122–14127.
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2008. Multiple-step virtual screening using VSM-G: Overview and validation of fast geometrical matching enrichment. J. Mol. Model.. 14:393–401.
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2019. Multiscale Aggregation of the Amyloid Aβ16–22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils. The Journal of Physical Chemistry Letters. 10:1594-1599.
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2011. A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35. Plos Comput. Biol.. 7:e1002051.
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2022. Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2.. J Chem Inf Model. 62(4):958-970.
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2016. Multiscale simulation of molecular processes in cellular environments. Philosophical Transactions of the Royal Society A-mathematical Physical and Engineering Sciences. 374
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2014. Multiscale Simulations Give Insight into the Hydrogen In and Out Pathways of [NiFe]-Hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans. J. Phys. Chem. B. 118:13800–13811.
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2017. Multi-scale simulations of biological systems using the OPEP coarse-grained model.. Biochem Biophys Res Commun.
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2013. A mutation causes MuSK reduced sensitivity to agrin and congenital myasthenia. Plos One. 8
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2011. Mycoplasma gallisepticum produces a histone-like protein that recognizes base mismatches in DNA. Biochemistry. 50:8692–8702.
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2009. Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system. Nat. Rev. Drug Discov.. 8:733–750.
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2009. An optimized extended DNA kappa B site that enhances plasmid DNA nuclear import and gene expression. J. Gene Med.. 11:401–411.
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2005. Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism. Biophys. J.. 88:3954–3965.
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2015. Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion. Structure. 23:584–597.
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2003. Nanoscopic liquid bridges exposed to a torsional strain. Physical Review E. 68:066103.
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2005. Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique. Phys. Biol.. 2:S101-S107.
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1988. Nested allosteric interaction in tarantula hemocyanin revealed through the binding of oxygen and carbon monoxide. Biochemistry. 27:6901–6908.
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1987. Nesting: hierarchies of allosteric interactions. Proc. Natl. Acad. Sci. U.s.a.. 84:1891–1895.
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1989. A new approach to the modelling of the structure and dynamics of biomacromolecules and their complexes. Doklady. Biophysics. 304:456–460.
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2017. New Coarse Variables for the Accurate Determination of Standard Binding Free Energies. J Chem Theory Comput. 13(11):5173-5178.
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2009. New Insight into the interaction between erbin and smad3: a non-classical binding interface for the erbin PDZ domain. Biochem. Biophys. Res. Commun.. 378:360–365.
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2002. New insights into the allosteric mechanism of human hemoglobin from molecular dynamics simulations. Biophys. J.. 82:3224–3245.
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1990. A new method for analysing of kinetic graphs in enzymatic catalysis. Mol. Biol.. 24:209–213.
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1989. New methodology for computer-aided modelling of biomolecular structure and dynamics: 2. Local deformations and cycles. J. Biomol. Struct. Dyn.. 6:833–845.