LCBC - Laboratory of Computational Chemistry and Biochemistry
12:13Development of Site-Specific Mg2+-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations, in Journal Of Chemical Theory And Computation, vol. 13, num. 1, p. 340-352, 2017.
10:33Computational Investigation of Intracellular Signalling Cascades: from G-Protein-Coupled Receptors to Adenylyl Cyclase. Thèse EPFL, n° 7563 (2017)
17:46Effect of N-Terminal Myristoylation on the Active Conformation of Gα, in Biochemistry, vol. 56, num. 1, p. 271-280, 2017.
12:34Origin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites, in Science Advances, vol. 2, num. 10, p. e1601156-e1601156, 2016.
17:21Extended Intermolecular Interactions Governing Photocurrent-Voltage Relations in Ternary Organic Solar Cells, in Journal Of Physical Chemistry Letters, vol. 7, num. 19, p. 3936-3944, 2016.
12:27Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?, in The Journal of Physical Chemistry B, 2016.
10:43Genetic-Algorithm-Based Optimization of a Peptidic Scaffold for Sequestration and Hydration of CO, in ChemPhysChem, 2016.
14:25An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode, in Angewandte Chemie-International Edition, vol. 55, num. 26, p. 7441-7444, 2016.
10:24Valence and conduction band tuning in halide perovskites for solar cell applications, in J. Mater. Chem. A, 2016.
17:30Molecular Simulations Integrated with Experiments Unravel the Key Factors of Lipid Selection in Fatty Acid Amide Hydrolase and Suggest A General Mechanism of Lipid-Processing in the Parent Enzymes. [u'60th Annual Meeting of the Biophysical-Society', u'60th Annual Meeting of the Biophysical-Society'].