Publications

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Journal Article
Berkovich R, Fernandez VI, Stirnemann G, Valle-Orero J, Fernandez JM.  2018.  Segmentation and the Entropic Elasticity of Modular Proteins. J Phys Chem Lett. 9:4707-4713.
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Phillips J, Hardy D, Maia J, Stone J, Ribeiro J, Bernardi R, Buch R, Fiorin G, Hénin J, Jiang W et al..  2020.  Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153
Timsit Y, Duplantier B., Jannink G., Sikorav J.L..  1998.  Symmetry and chirality in topoisomerase II-DNA crossover recognition. J. Mol. Biol.. 284:1289–1299.
Sauguet L., Poitevin F., Murail S., Van Renterghem C., Moraga-Cid G., Malherbe L., Thompson A.W, Koehl P., Corringer P.J, Baaden M et al..  2013.  Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. Embo J.. 32:728–741.
Laurent B., Murail S., Shahsavar A., Sauguet L., Delarue M., Baaden M.  2016.  Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure. 24a:595–605.
Laurent B., Murail S., Shahsavar A., Sauguet L., Delarue M., Baaden M.  2016.  Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure. 24a:595–605.
Licsandru E., Kocsis I., Shen Y.X, Murail S., Legrand Y.M, van der Lee A., Tsai D., Baaden M, Kumar M., Barboiu M..  2016.  Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation. J. Am. Chem. Soc.. 138:5403–5409.
Rahaman O, Kalimeri M, Melchionna S, Hénin J, Sterpone F.  2015.  Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains.. J. Phys. Chem. B. 119:8939–49.
Vartia AA, Mitchell-Koch KR, Stirnemann G, Laage D, Thompson WH.  2011.  On the reorientation and hydrogen-bond dynamics of Alcohols. J. Phys. Chem. B. 115:12173–12178.
Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT.  2011.  Reorientation and Allied Dynamics in Water and Aqueous Solutions. Annu. Rev. Phys. Chem.. 62:395–416.
Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT.  2011.  Reorientation and Allied Dynamics in Water and Aqueous Solutions. Annu. Rev. Phys. Chem.. 62:395–416.
Stirnemann G, Sterpone F.  2015.  Recovering protein thermal stability using all-atom Hamiltonian replica-exchange simulations in explicit solvent. J. Chem. Theo. Comput.. 11:5573–5577.
Stirnemann G, Sterpone F.  2015.  Recovering protein thermal stability using all-atom Hamiltonian replica-exchange simulations in explicit solvent. J. Chem. Theo. Comput.. 11:5573–5577.
Nguyen PH, Staudt H, Wachtveitl J, Stock G.  2011.  Real Time Observation of Ultrafast Peptide Conformational Dynamics: Molecular Dynamics Simulation vs Infrared Experiment. J. Phys. Chem. B. 115:13084–13092.
Nguyen PH, Staudt H, Wachtveitl J, Stock G.  2011.  Real Time Observation of Ultrafast Peptide Conformational Dynamics: Molecular Dynamics Simulation vs Infrared Experiment. J. Phys. Chem. B. 115:13084–13092.
Berkovich R., Hermans R.I, Popa I., Stirnemann G, Garcia-Manyes S., Berne B.J, Fernandez J.M.  2012.  Rate limit of protein elastic response is tether dependent. Proc. Natl. Acad. Sci. U.s.a.. 109:14416–14421.
Isabelle V, Prévost C, Spotheim-Maurizot M, Sabattier R, Charlier M.  1995.  Radiation-induced damages in single- and double-stranded DNA. Int. J. Radiat. Biol.. 67:169–76.
Isabelle V, Prévost C, Spotheim-Maurizot M, Sabattier R, Charlier M.  1995.  Radiation-induced damages in single- and double-stranded DNA. Int. J. Radiat. Biol.. 67:169–76.
Bocahut A., Bernad S., Sebban P., Sacquin-Mora S.  2009.  Relating the Diffusion of Small Ligands in Human Neuroglobin to Its Structural and Mechanical Properties. J. Phys. Chem. B. 113:16257–16267.
Bocahut A., Bernad S., Sebban P., Sacquin-Mora S.  2009.  Relating the Diffusion of Small Ligands in Human Neuroglobin to Its Structural and Mechanical Properties. J. Phys. Chem. B. 113:16257–16267.
Gorbunov RD, Nguyen PHoang, Kobus M, Stock G.  2007.  Quantum-classical description of the amide I vibrational spectrum of trialanine. J. Chem. Phys.. 126
Saladin A, Fiorucci S, Poulain P, Prévost C, Zacharias M.  2009.  PTools: an opensource molecular docking library.. Bmc Struct. Biol.. 9:27–37.

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