Publications
Export 64 results:
[ Author
] Title Type Year Filters: First Letter Of Title is I [Clear All Filters]
.
2015. Integrating multi-scale data on homologous recombination into a new recognition mechanism based on simulations of the RecA-ssDNA/dsDNA structure. Nucleic Acids Res.. 43:10251–63.
.
2005. Improved greedy algorithm for protein structure reconstruction. J. Comput. Chem.. 26:506–513.
.
2016. Interactive visual analytics of molecular data in immersive environments via a semantic definition of the content and the context. 2016 Workshop on Immersive Analytics (IA).
.
2010. Interacting with Molecular Simulations using a Multimodal VR Framework. EuroVR-EVE. :1–4.
.
2006. Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors. Proceedings of the National Academy of Sciences. 103:16965–16970.
.
2006. Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors. Proc. Natl. Acad. Sci. U.s.a.. 103:16965–16970.
.
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.
.
2013. Importance of the Ion-Pair Interactions in the OPEP Coarse-Grained Force Field: Parametrization and Validation. J. Chem. Theory Comput.. 9:4574–4584.
.
2011. Impact of Thermostats on Folding and Aggregation Properties of Peptides Using the Optimized Potential for Efficient Structure Prediction Coarse-Grained Model. J. Chem. Theory Comput.. 7:1502–1510.
.
2014. Improved PEP-FOLD Approach for Peptide and Miniprotein Structure Prediction. J. Chem. Theory Comput.. 10:4745–4758.
.
2004. Identification of the subunit-subunit interface of Xenopus Rad51.1 protein: Similarity to RecA. J. Mol. Biol.. 335:895–904.
.
2004. In silico assembly of Alzheimer's A beta(16-22) peptide into beta-sheets. J. Am. Chem. Soc.. 126:11509–11516.
.
2003. Impact of the tail and mutations G131V and M129V on prion protein flexibility. Proteins-structure Function and Genetics. 51:258–265.
.
2008. Identification of Protein Interaction Partners and Protein-Protein Interaction Sites. J. Mol. Biol.. 382:1276–1289.
.
2006. Investigating the local flexibility of functional residues in hemoproteins. Biophys. J.. 90:2706–2717.
.
2004. Integrating three views of Arf1 activation dynamics. J. Mol. Biol.. 337:969–983.
.
2008. Insights on protein-DNA recognition by coarse grain modelling. J. Comput. Chem.. 29:2582–92.
.
2001. Induction-independent recruitment of CREB-binding protein to the c-fos serum response element through interactions between the bromodomain and Elk-1. J. Biol. Chem.. 276:5213–5221.
.
2006. Improved Wang-Landau sampling through the use of smoothed potential-energy surfaces. J. Chem. Phys.. 124
.
2016. Impact of the A2V Mutation on the Heterozygous and Homozygous A beta 1-40 Dimer Structures from Atomistic Simulations. Acs Chem. Neurosci.. 7:823–832.
.
2020. Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics.. J Phys Chem B. 124(7):1175-1182.
.
2014. Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly. Faraday Discuss.. 169:45–62.
.
2001. Internal coordinate simulation method. Computational Biochemistry and Biophysics. :115–131.