Alessandro Cembran

发表

Testing Dystrophin's Spectrin Repeats Mechanism of Function with Computer Simulations

Caitlin T. Pederson, Katie L. Schneider, Alessandro Cembran, 2016 .

Internal Dynamics of a Coarse-Grained Protein Using Analytical Harmonic Representation.

Jiali Gao, Alessandro Cembran, Michael J M Mazack, 2010, Journal of chemical theory and computation.

The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

Jiali Gao, Alessandro Cembran, Wei Wu, 2012, Journal of chemical theory and computation.

About the intrinsic photochemical properties of the 11-cis retinal chromophore: computational clues for a trap state and a lever effect in Rhodopsin catalysis

Marco Garavelli, Manuela Merchán, Luis Serrano-Andrés, 2007 .

Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effect.

Marco Garavelli, Fernando Bernardi, Massimo Olivucci, 2005, The journal of physical chemistry. A.

Potential energy functions for an intramolecular proton transfer reaction in the ground and excited state

Jiali Gao, Alessandro Cembran, Jiali Gao, 2007 .

Conformational equilibrium of N-myristoylated cAMP-dependent protein kinase A by molecular dynamics simulations.

Jiali Gao, Gianluigi Veglia, Christopher L. McClendon, 2012, Biochemistry.

Counterion controlled photoisomerization of retinal chromophore models: a computational investigation.

Marco Garavelli, Fernando Bernardi, Massimo Olivucci, 2004, Journal of the American Chemical Society.

Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping

Marco Garavelli, Massimo Olivucci, Alessandro Cembran, 2010, Proceedings of the National Academy of Sciences.

Generalized X-Pol Theory and Charge Delocalization States.

Jiali Gao, Yirong Mo, Alessandro Cembran, 2010, Journal of chemical theory and computation.

Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins.

Marco Garavelli, Massimo Olivucci, Adalgisa Sinicropi, 2004, Faraday discussions.

Atomic-Level Characterization of the Structural Dynamics of Azurin Variants with Tuned Reduction Potentials

Alessandro Cembran, Steven M. Berry, Anthony T. Meger, 2018 .

Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons.

Marco Garavelli, Fernando Bernardi, Massimo Olivucci, 2002, Journal of the American Chemical Society.