Publications

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A
Comer J, Gumbart JC, Hénin J, Lelièvre T, Pohorille A, Chipot C.  2015.  The adaptive biasing force method: everything you always wanted to know but were afraid to ask.. J. Phys. Chem. B. 119:1129–51.
Nazarova N.I, Mazur AK, Elyakova L.A.  1986.  Active sites of the endo-beta-1,3-glucanases from Spisula sacchalinensis and Chlyamys albidys. Bioorg. Chem.. 12:1478–1483.
Mazur AK.  1998.  Accurate DNA dynamics without accurate long range electrostatics. J. Am. Chem. Soc.. 120:10928–10937.
Bastard K, Prévost C, Zacharias M.  2006.  Accounting for loop flexibility during protein-protein docking. Proteins. 62:956–969.
Bastard K, Saladin A, Prévost C.  2011.  Accounting for large amplitude protein deformation during in silico macromolecular docking. Int. J. Mol. Sci.. 12:1316–33.
Stirnemann G, Duboué-Dijon E, Laage D.  2017.  Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects. J Phys Chem B.
Cragnolini T, Derreumaux P, Pasquali S.  2015.  Ab initio RNA folding. Journal of Physics-condensed Matter. 27:233102.
Derreumaux P.  1999.  Ab initio prediction of polypeptide structure from its sequence. Comput. Phys. Commun.. 122:139–140.
Derreumaux P.  2000.  Ab initio polypeptide structure prediction. Theor. Chem. Acc.. 104:1–6.

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