Publications
] .
2005. Exploring the free energy landscape of a short peptide using an average force. J. Chem. Phys.. 123:244906.
.
2003. Exploring The Repertoire of RNA Secondary Motifs Using Graph Theory with Implications for RNA Design. Nuc. Acids Res.. 31:2926–2943.
.
2003. Extending the structure of an ABC transporter to atomic resolution: Modeling and simulation studies of MsbA. Biochemistry. 42:3666–3673.
.
2015. Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus? J. R. Soc. Interface. 12
.
2013. Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. Plos Comput. Biol.. 9:e1003034.
.
2011. From toxins targeting ligand gated ion channels to therapeutic molecules. Toxins (basel). 3:260–293.
.
2011. Frontier residues lining globin internal cavities present specific mechanical properties. J. Am. Chem. Soc.. 133:8753–8761.
.
2008. Functional organization and conformational dynamics of the nicotinic receptor: a plausible structural interpretation of myasthenic mutations. Ann. N. Y. Acad. Sci.. 1132:42–52.
.
2014. Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the A beta 1-28 Monomer. J. Phys. Chem. B. 118:501–510.
.
2021. Fast and Accurate Multidimensional Free Energy Integration.. J Chem Theory Comput. 17(11):6789-6798.
.
2017. Fast coarse-grained model for RNA titration.. J Chem Phys. 146(3):035101.
.
2010. A Fast Method for Large-Scale De Novo Peptide and Miniprotein Structure Prediction. J. Comput. Chem.. 31:726–738.
.
2009. A fast method for large-scale De Novo peptide and miniprotein structure prediction.. J. Comput. Chem..
.
1996. Finding and visualizing nucleic acid base stacking. J Mol Graph. 14:6–11.
.
1998. Finding the low-energy forms of avian pancreatic polypeptide with the diffusion-process-controlled Monte Carlo method. J. Chem. Phys.. 109:1567–1574.
.
2012. Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches. Journal of the Royal Society Interface. 9:20–33.
.
2008. Fluctuation-induced interactions between dielectrics. J. Chem. Phys.. 129:014703.
.
2003. Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects. J. Chem. Phys.. 118:1453–1465.
.
2002. Fluids confined by nanopatterned substrates of low symmetry. Mol. Phys.. 100:2971–2982.
.
1997. Folding a 20 amino acid alpha beta peptide with the diffusion process-controlled Monte Carlo method. J. Chem. Phys.. 107:1941–1947.
.
1998. Folding and Aggregation of Designed Protein Chains. Proc. Natl. Acad. Sci. Usa. 95:12930–1293.
.
2015. Folding Atomistic Proteins in Explicit Solvent Using Simulated Tempering. J. Phys. Chem. B. 119:6941–6951.
.
2005. Following the aggregation of amyloid-forming peptides by computer simulations. J. Chem. Phys.. 122:174904.
.
2018. The force-dependent mechanism of DnaK-mediated mechanical folding. Sci Adv. 4:eaaq0243.
.
1994. FORCE-FIELD AND VIBRATIONAL-SPECTRA OF OLIGOSACCHARIDES WITH DIFFERENT GLYCOSIDIC LINKAGES .2. MALTOSE MONOHYDRATE, CELLOBIOSE AND GENTIOBIOSE. Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy. 50:105–118.