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Collaborations and top research areas from the last five years
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Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance
Michael, E., Saint-Jalme, R., Mignon, D. & Simonson, T., 9 Jan 2023, In: Frontiers in Molecular Biosciences. 9, 905588.Research output: Contribution to journal › Article › peer-review
Open Access -
Knowledge-Based Unfolded State Model for Protein Design
Opuu, V., Mignon, D. & Simonson, T., 1 Jan 2022, Methods in Molecular Biology. Humana Press Inc., p. 403-424 22 p. (Methods in Molecular Biology; vol. 2405).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Computational Design of PDZ-Peptide Binding
Panel, N., Villa, F., Opuu, V., Mignon, D. & Simonson, T., 1 Jan 2021, Methods in Molecular Biology. Humana Press Inc., p. 237-255 19 p. (Methods in Molecular Biology; vol. 2256).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Physics-based computational protein design: An update
Simonson, T., Mignon, D., Druart, K., Michael, E., Opuu, V., Polydorides, S., Villa, F., Gaillard, T., Panel, N. & Archontis, G., 24 Dec 2020, In: Journal of Physical Chemistry A. 124, 51, p. 10637-10648 12 p.Research output: Contribution to journal › Article › peer-review
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Variable Neighborhood Search with Cost Function Networks to Solve Large Computational Protein Design Problems
Charpentier, A., Mignon, D., Barbe, S., Cortes, J., Schiex, T., Simonson, T. & Allouche, D., 28 Jan 2019, In: Journal of Chemical Information and Modeling. 59, 1, p. 127-136 10 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Comparing pairwise-additive and many-body generalized Born models for acid/base calculations and protein design
Villa, F., Mignon, D., Polydorides, S. & Simonson, T., 30 Oct 2017, In: Journal of Computational Chemistry. 38, 28, p. 2396-2410 15 p.Research output: Contribution to journal › Article › peer-review
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Computational Design of the Tiam1 PDZ Domain and Its Ligand Binding
Mignon, D., Panel, N., Chen, X., Fuentes, E. J. & Simonson, T., 9 May 2017, In: Journal of Chemical Theory and Computation. 13, 5, p. 2271-2289 19 p.Research output: Contribution to journal › Article › peer-review
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Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristic
Mignon, D. & Simonson, T., 15 Jul 2016, In: Journal of Computational Chemistry. 37, 19, p. 1781-1793 13 p.Research output: Contribution to journal › Article › peer-review
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Proteus and the design of ligand binding sites
Polydorides, S., Michael, E., Mignon, D., Druart, K., Archontis, G. & Simonson, T., 1 May 2016, Methods in Molecular Biology. Humana Press Inc., p. 77-97 21 p. (Methods in Molecular Biology; vol. 1414).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Computational protein design: The proteus software and selected applications
Simonson, T., Gaillard, T., Mignon, D., Schmidt Am Busch, M., Lopes, A., Amara, N., Polydorides, S., Sedano, A., Druart, K. & Archontis, G., 30 Oct 2013, In: Journal of Computational Chemistry. 34, 28, p. 2472-2484 13 p.Research output: Contribution to journal › Article › peer-review