Alessandro Cembran: search on Z-Library

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1

On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1

Cembran, Alessandro, Bernardi, Fernando, Garavelli, Marco, Gagliardi, Laura, Orlandi, Giorgio

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 531 KB

english, 2004

2

Role of conformational entropy in the activity and regulation of the catalytic subunit of protein kinase A

Veglia, Gianluigi, Cembran, Alessandro

Journal:

Year:

2013

Language:

english

File:

PDF, 357 KB

english, 2013

3

Molecular Dynamics Simulation and Markov State Model Reveal Irregular Metastable Conformation and Allostery In DNAJB-PKAc

Wang, Yingjie, Cembran, Alessandro, Gao, Jiali, Veglia, Gianluigi, Taylor, Susan S., Simon, Sanford M.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 61 KB

english, 2016

4

Tuning Sulfur Oxidation States on Thioether-Bridged Peptide Macrocycles for Modulation of Protein Interactions

Perell, Gabriella, Staebell, Rachel, Hairani, Mehrdad, Cembran, Alessandro, Pomerantz, William Charles Krause

Journal:

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

5

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

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

Journal:

Journal of Biomolecular NMR

Year:

2009

Language:

english

File:

PDF, 500 KB

english, 2009

6

Generalized X-Pol Theory and Charge Delocalization States

Gao, Jiali, Cembran, Alessandro, Mo, Yirong

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 4.03 MB

english, 2010

7

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

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

Journal:

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

8

Structural, Kinetic, and Thermodynamic Response of Water to Mechanical Unfolding of Spectrin Repeats

Moe, Sarah J., Rajala, Torvin, Cembran, Alessandro

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 44 KB

english, 2019

9

Correction to âFRET Analysis of Ionic Strength Sensors in the Hofmeister Series of Salt Solutions Using Fluorescence Lifetime Measurementsâ

Miller, Robert C., Aplin, Cody P., Kay, Taryn M., Leighton, Ryan, Libal, Christin, Simonet, Rowan, Cembran, Alessandro, Heikal, Ahmed A., Boersma, Arnold J., Sheets, Erin D.

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 513 KB

2020

10

Structure of the Conical Intersections Driving the cis–trans Photoisomerization of Conjugated Molecules

Diego Sampedro Ruiz, Alessandro Cembran, Marco Garavelli, Massimo Olivucci, Werner Fuß

Journal:

Photochemistry and Photobiology

Year:

2002

Language:

english

File:

PDF, 190 KB

english, 2002

11

NMR mapping of protein conformational landscapes using coordinated behavior of chemical shifts upon ligand binding

Cembran, Alessandro, Kim, Jonggul, Gao, Jiali, Veglia, Gianluigi

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.42 MB

english, 2014

12

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

Piero Altoè, Alessandro Cembran, Massimo Olivucci, Marco Garavelli and Michael Robb

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 1.55 MB

english, 2010

13

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

Yu, Tao, Higashi, Masahiro, Cembran, Alessandro, Gao, Jiali, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.66 MB

english, 2013

14

Spectroscopic and Computational Analysis of Dystrophin Regulation of Actin Dynamics

Fealey, Michael E., Horn, Benjamin, Cembran, Alessandro, Hinderliter, Anne, Thomas, David D.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 44 KB

english, 2016

15

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

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

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 43 KB

english, 2018

16

Complete-active-space self-consistent-field/Amber parameterization of the Lys296–retinal–Glu113 rhodopsin chromophore-counterion system

Nicolas Ferré, Alessandro Cembran, Marco Garavelli, Massimo Olivucci

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2004

Language:

english

File:

PDF, 334 KB

english, 2004

17

Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The β-Ionone “Handle” and Alkyl Group Effect

Cembran, Alessandro, González-Luque, Remedios, Altoè, Piero, Merchán, Manuela, Bernardi, Fernando, Olivucci, Massimo, Garavelli, Marco

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

18

Oxidation Increases the Strength of the Methionine-Aromatic Interaction

Lewis, Andrew K., Cembran, Alessandro, Senkow, Tiffany L., Mahling, Ryan, Perell, Gabriella T., McCarthy, Megan R., Her, Cheng, Horn, Benjamin T., Valley, Christopher C., Karim, Christine B., Gao, Jia

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 43 KB

english, 2015

19

Sarcolipin-Mediated Regulation of SERCA by Computer Simulations

Cembran, Alessandro, Dicke, Alysha A., De Simone, Alfonso, Mote, Kaustubh R., Vostrikov, Vitaly V., Veglia, Gianluigi

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 47 KB

english, 2015

20

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

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

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.23 MB

english, 2012

21

Excited state intramolecular proton transfer in 1-(trifluoroacetylamino)naphthaquinone: a CASPT2//CASSCF computational study

Cembran, Alessandro, Gao, Jiali

Journal:

Molecular Physics

Year:

2006

Language:

english

File:

PDF, 566 KB

english, 2006

22

The Role of Hydrophobic Interactions and Water Dynamics Around Dystrophin Spectrin Repeats

Moe, Sarah, Cembran, Alessandro

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 39 KB

english, 2018

23

Effects of Mutations on Human Prion Protein Unfolding

John, Aliciarose, Myers, Ryan R., Fernandez-Funez, Pedro, Cembran, Alessandro

Journal:

Biophysical Journal

Year:

2020

Language:

english

File:

PDF, 44 KB

english, 2020

24

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

Myers, Ryan, Cembran, Alessandro, Fernandez-Funez, Pedro

Journal:

Frontiers in Cellular Neuroscience

Year:

2020

File:

PDF, 2.84 MB

2020

25

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

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

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 289 KB

english, 2009

26

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

Alessandro Cembran, Remedios González-Luque, Luis Serrano-Andrés, Manuela Merchán, Marco Garavelli

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 541 KB

english, 2007

27

Cyclooctatetraene Computational Photo- and Thermal Chemistry: A Reactivity Model for Conjugated Hydrocarbons

Garavelli, Marco, Bernardi, Fernando, Cembran, Alessandro, Castaño, Obis, Frutos, Luis Manuel, Merchán, Manuela, Olivucci, Massimo

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 877 KB

english, 2002

28

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

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

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 1.20 MB

english, 2010

29

Conformational Dynamics of Dopamine β-Hydroxylase by Computer Simulations

Besch, Alida, Cembran, Alessandro

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 50 KB

english, 2018

30

Structure of the Conical Intersections Driving the cis—trans Photoisomerization of Conjugated Molecules

Diego Sampedro Ruiz, Alessandro Cembran, Marco Garavelli, Massimo Olivucci, Werner Fuss

Journal:

Year:

2003

File:

PDF, 4 KB

2003

31

Quantitative Interpretation of Chemical Shifts Enables Mapping Proteins Conformational Landscape

Cembran, Alessandro, Veglia, Gianluigi

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 38 KB

english, 2014

32

Hydrophobic Interactions Elicit Cooperative Response in Dystrophin

Cembran, Alessandro, Hinderliter, Anne, Horn, Benjamin T., Pederson, Caitlin T., Schneider, Katie L., Skogstad, Jesse A.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 39 KB

english, 2016

33

Structure of the Conical Intersections Driving the cis–trans Photoisomerization of Conjugated Molecules¶

Sampedro Ruiz, Diego, Cembran, Alessandro, Garavelli, Marco, Olivucci, Massimo, Fuß, Werner

Journal:

Photochemistry and Photobiology

Year:

2002

Language:

english

File:

PDF, 198 KB

english, 2002

34

Internal Dynamics of an Analytically Coarse-Grained Protein

Mazack, Michael J. M., Cembran, Alessandro, Gao, Jiali

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 3.00 MB

english, 2010

35

Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

Migani, Annapaola, Sinicropi, Adalgisa, Ferr�, Nicolas, Cembran, Alessandro, Garavelli, Marco, Olivucci, Massimo

Journal:

Faraday Discussions

Year:

2004

Language:

english

File:

PDF, 1010 KB

english, 2004

36

Investigating the role of a backbone to substrate hydrogen bond in OMP decarboxylase using a site-specific amide to ester substitution

Desai, Bijoy J., Goto, Yuki, Cembran, Alessandro, Fedorov, Alexander A., Almo, Steven C., Gao, Jiali, Suga, Hiroaki, Gerlt, John A.

Journal:

Proceedings of the National Academy of Sciences

Year:

2014

Language:

english

File:

PDF, 1004 KB

english, 2014

37

Synchronous Opening and Closing Motions Are Essential for cAMP-Dependent Protein Kinase A Signaling

Srivastava, Atul K., McDonald, Leanna R., Cembran, Alessandro, Kim, Jonggul, Masterson, Larry R., McClendon, Christopher L., Taylor, Susan S., Veglia, Gianluigi

Journal:

Year:

2014

Language:

english

File:

PDF, 2.45 MB

english, 2014

38

Dysfunctional Conformational Dynamics of Protein Kinase a from R14 Deletion of Phospholamban

Kim, Jonggul, Masterson, Larry R., Cembran, Alessandro, Verardi, Raffaello, Shi, Lei, Gao, Jiali, Veglia, Gianluigi

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 46 KB

english, 2015

39

Investigating Novel Hetero-FRET Biosensors for Environmental Ionic Strength using Experimental and Theoretical Approaches

Aplin, Cody P., Miller, Robert C., Kay, Taryn M., Cembran, Alessandro, Boersma, Arnold J., Heikal, Ahmed A., Sheets, Erin D.

Journal:

Biophysical Journal

Year:

2020

File:

PDF, 43 KB

2020

40

Counterion Controlled Photoisomerization of Retinal Chromophore Models: a Computational Investigation

Cembran, Alessandro, Bernardi, Fernando, Olivucci, Massimo, Garavelli, Marco

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 1.49 MB

english, 2004

41

Excited-State Singlet Manifold and Oscillatory Features of a Nonatetraeniminium Retinal Chromophore Model

Cembran, Alessandro, Bernardi, Fernando, Olivucci, Massimo, Garavelli, Marco

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 419 KB

english, 2003

42

A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization

Laura Gagliardi, Giorgio Orlandi, Fernando Bernardi, Alessandro Cembran, Marco Garavelli

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2004

Language:

english

File:

PDF, 276 KB

english, 2004

43

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

Fan, Yao, Cembran, Alessandro, Ma, Shuhua, Gao, Jiali

Journal:

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

44

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

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

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.47 MB

english, 2012

45

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

Kim, Jonggul, Masterson, Larry R., Cembran, Alessandro, Verardi, Raffaello, Shi, Lei, Gao, Jiali, Taylor, Susan S., Veglia, Gianluigi

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 2.20 MB

english, 2015

46

Solid-State NMR Structures of Phospholamban or Sarcolipin Bound to Calcium ATPase (SERCA) Reveal the Mode of Inhibition

Vostrikov, Vitaly V., Mote, Kaustubh R., Gustavsson, Martin, Tata, Gopinath, Cembran, Alessandro, Veglia, Gianluigi

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 101 KB

english, 2014

47

FRET Analysis of Ionic Strength Sensors in the Hofmeister Series of Salt Solutions Using Fluorescence Lifetime Measurements

Miller, Robert C., Aplin, Cody P., Kay, Taryn M., Leighton, Ryan, Libal, Christin, Simonet, Rowan, Cembran, Alessandro, Heikal, Ahmed A., Boersma, Arnold J., Sheets, Erin D.

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 1.39 MB

2020

48

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

Shi, Lei, Cembran, Alessandro, Gao, Jiali, Veglia, Gianluigi

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 2.69 MB

english, 2009

49

On the Interfragment Exchange in the X-Pol Method

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

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 984 KB

english, 2010

50

Flickering dipoles in the gas phase: Structures, internal dynamics, and dipole moments of β-naphthol-H2O in its ground and excited electronic states

Fleisher, Adam J., Young, Justin W., Pratt, David W., Cembran, Alessandro, Gao, Jiali

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 693 KB

english, 2011

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