Role of Conformational Entropy in the Activity and Regulation of the catalytic subunit of Protein Kinase A

অনুযায়ী Veglia, Gianluigi, Cembran, Alessandro
প্রকাশিত 2013

Mechanical Unfolding of Spectrin Repeats Induces Water-Molecule Ordering

অনুযায়ী Moe, Sarah J., Cembran, Alessandro
প্রকাশিত Biophys J (2020)

Insight From Animals Resistant to Prion Diseases: Deciphering the Genotype – Morphotype – Phenotype Code for the Prion Protein

অনুযায়ী Myers, Ryan, Cembran, Alessandro, Fernandez-Funez, Pedro
প্রকাশিত Front Cell Neurosci (2020)

The retinal chromophore/chloride ion pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states

অনুযায়ী Cembran, Alessandro, Bernardi, Fernando, Olivucci, Massimo, Garavelli, Marco
প্রকাশিত 2005

Tilt and Azimuthal Angles of a Transmembrane Peptide: A Comparison between Molecular Dynamics Calculations and Solid-State NMR Data of Sarcolipin in Lipid Membranes

অনুযায়ী Shi, Lei, Cembran, Alessandro, Gao, Jiali, Veglia, Gianluigi
প্রকাশিত 2009

Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces

অনুযায়ী Cembran, Alessandro, Song, Lingchun, Mo, Yirong, Gao, Jiali
প্রকাশিত 2009

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

অনুযায়ী Altoè, Piero, Cembran, Alessandro, Olivucci, Massimo, Garavelli, Marco
প্রকাশিত 2010

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

অনুযায়ী Mazack, Michael J. M., Cembran, Alessandro, Gao, Jiali
প্রকাশিত 2010

Connecting Protein Conformational Dynamics with Catalytic Function as Illustrated in Dihydrofolate Reductase

অনুযায়ী Fan, Yao, Cembran, Alessandro, Ma, Shuhua, Gao, Jiali
প্রকাশিত 2013

NMR Mapping of Protein Conformational Landscapes using Coordinated Behavior of Chemical Shifts upon Ligand Binding

অনুযায়ী Cembran, Alessandro, Kim, Jonggul, Gao, Jiali, Veglia, Gianluigi
প্রকাশিত 2014

ALLOSTERY AND BINDING COOPERATIVITY OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE A BY NMR SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATIONS

অনুযায়ী MASTERSON, LARRY R., CEMBRAN, ALESSANDRO, SHI, LEI, VEGLIA, GIANLUIGI
প্রকাশিত 2012

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)

অনুযায়ী Cembran, Alessandro, Provorse, Makenzie R., Wang, Changwei, Wu, Wei, Gao, Jiali
প্রকাশিত 2012

Concerted Hydrogen Atom and Electron Transfer Mechanism for Catalysis by Lysine-Specific Demethylase

অনুযায়ী Yu, Tao, Higashi, Masahiro, Cembran, Alessandro, Gao, Jiali, Truhlar, Donald G.
প্রকাশিত J Phys Chem B (2013)

Multilevel X-Pol: A Fragment-based Method with Mixed Quantum Mechanical Representations of Different Fragments

অনুযায়ী Wang, Yingjie, Sosa, Carlos P., Cembran, Alessandro, Truhlar, Donald G., Gao, Jiali
প্রকাশিত 2012

A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints

অনুযায়ী Shi, Lei, Traaseth, Nathaniel J., Verardi, Raffaello, Cembran, Alessandro, Gao, Jiali, Veglia, Gianluigi
প্রকাশিত 2009

On the Interfragment Exchange in the X-Pol Method

অনুযায়ী Cembran, Alessandro, Bao, Peng, Wang, Yingjie, Song, Lingchun, Truhlar, Donald G., Gao, Jiali
প্রকাশিত 2010

A Non-Orthogonal Block-Localized Effective Hamiltonian Approach for Chemical and Enzymatic Reactions

অনুযায়ী Cembran, Alessandro, Payaka, Apirak, Lin, Yen-lin, Xie, Wangshen, Mo, Yirong, Song, Lingchun, Gao, Jiali
প্রকাশিত 2010

Conformational Equilibrium of N-Myristoylated cAMP-Dependent Protein Kinase A by Molecular Dynamics Simulations

অনুযায়ী Cembran, Alessandro, Masterson, Larry R., McClendon, Christopher L., Taylor, Susan S., Gao, Jiali, Veglia, Gianluigi
প্রকাশিত 2012

On the Function of Pentameric Phospholamban: Ion Channel or Storage Form?

অনুযায়ী Becucci, Lucia, Cembran, Alessandro, Karim, Christine B., Thomas, David D., Guidelli, Rolando, Gao, Jiali, Veglia, Gianluigi
প্রকাশিত 2009

Dysfunctional conformational dynamics of protein kinase A induced by a lethal mutant of phospholamban hinder phosphorylation

অনুযায়ী Kim, Jonggul, Masterson, Larry R., Cembran, Alessandro, Verardi, Raffaello, Shi, Lei, Gao, Jiali, Taylor, Susan S., Veglia, Gianluigi
প্রকাশিত Proc Natl Acad Sci U S A (2015)