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1

Effects of core-packing on the structure, function, and mechanics of a four-helix-bundle protein ROP

Marc A. Ceruso, Alessandro Grottesi, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1999

Language:

english

File:

PDF, 271 KB

english, 1999

2

Molecular dynamics study of a hyperthermophilic and a mesophilic rubredoxin

Alessandro Grottesi, Marc-Antoine Ceruso, Alfredo Colosimo, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2002

Language:

english

File:

PDF, 246 KB

english, 2002

3

Dynamic effects of mutations within two loops of cytochrome c551 from Pseudomonas aeruginosa

Marc Antoine Ceruso, Alessandro Grottesi, Alfredo Di Nola

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2003

Language:

english

File:

PDF, 160 KB

english, 2003

4

Early events in protein aggregation: Molecular flexibility and hydrophobicity/charge interaction in amyloid peptides as studied by molecular dynamics simulations

Mariacristina Valerio, Alfredo Colosimo, Filippo Conti, Alessandro Giuliani, Alessandro Grottesi, Cesare Manetti, Joseph P. Zbilut

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 552 KB

english, 2005

5

Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers

Katherine Cox, Peter J. Bond, Alessandro Grottesi, Marc Baaden, Mark S. P. Sansom

Journal:

European Biophysics Journal

Year:

2008

Language:

english

File:

PDF, 734 KB

english, 2008

6

Ion channel gates: comparative analysis of energy barriers

Kaihsu Tai, Shozeb Haider, Alessandro Grottesi, Mark S. P. Sansom

Journal:

European Biophysics Journal

Year:

2009

Language:

english

File:

PDF, 465 KB

english, 2009

7

Conformational switch of a flexible loop in human laminin receptor determines laminin-1 interaction

Carmen Di Giovanni, Alessandro Grottesi, Antonio Lavecchia

Journal:

European Biophysics Journal

Year:

2012

Language:

english

File:

PDF, 448 KB

english, 2012

8

Parallel Rendering and Animation of Subdivision Surfaces on the Cell BE Processor

L. Benini, R. Grottesi, S. Morigi, M. Ruggiero

Journal:

International Journal of Parallel Programming

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

9

Autism with Seizures and Intellectual Disability: Possible Causative Role of Gain-of-function of the Inwardly-Rectifying K+ Channel Kir4.1

Federico Sicca, Paola Imbrici, Maria Cristina D'Adamo, Francesca Moro, Fabrizia Bonatti, Paola Brovedani, Alessandro Grottesi, Renzo Guerrini, Gabriele Masi, Filippo Maria Santorelli, Mauro Pessia

Journal:

Neurobiology of Disease

Year:

2011

Language:

english

File:

PDF, 1.24 MB

english, 2011

10

Temporary secondary structures in tau, an intrinsically disordered protein

Battisti, Anna, Ciasca, Gabriele, Grottesi, Alessandro, Bianconi, Antonio, Tenenbaum, Alexander

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 662 KB

english, 2012

11

Voltage-gated ion channels

Zara Sands, Alessandro Grottesi, Mark S.P. Sansom

Journal:

Current Biology

Year:

2005

Language:

english

File:

PDF, 1.14 MB

english, 2005

12

Potassium Channels: Complete and Undistorted

Alessandro Grottesi, Zara A. Sands, Mark S.P. Sansom

Journal:

Current Biology

Year:

2005

Language:

english

File:

PDF, 2.23 MB

english, 2005

13

Solution conformation of the Pseudomonas syringae MSU 16H phytotoxic lipodepsipeptide Pseudomycin A determined by computer simulations using distance geometry and molecular dynamics from NMR data

Vincenza Maria Coiro, Anna Laura Segre, Alfredo Di Nola, Maurizio Paci, Alessandro Grottesi, Gianluigi Veglia, Alessandro Ballio

Journal:

Year:

1998

Language:

english

File:

PDF, 245 KB

english, 1998

14

Conformational Dynamics of M2 Helices in KirBac Channels: Helix Flexibility in Relation to Gating via Molecular Dynamics Simulations†

Grottesi, Alessandro, Domene, Carmen, Hall, Benjamin, Sansom, Mark S. P.

Journal:

Year:

2005

Language:

english

File:

PDF, 410 KB

english, 2005

15

An Original Technique for Bladder Autoaugmentation with Protective Abdominal Rectus Muscle Flaps: An Experimental Study in Rats

C. Manzoni, A. Grottesi, C. D'Urzo, C. Pintus, G. Fadda, L. Perrelli

Journal:

Journal of Surgical Research

Year:

2001

Language:

english

File:

PDF, 818 KB

english, 2001

16

Molecular dynamics simulations of a K+ channel blocker: Tc1 toxin from Tityus cambridgei

Alessandro Grottesi, Mark S.P. Sansom

Journal:

Year:

2003

Language:

english

File:

PDF, 221 KB

english, 2003

17

Ion channel gating: insights via molecular simulations

Oliver Beckstein, Philip C Biggin, Peter Bond, Joanne N Bright, Carmen Domene, Alessandro Grottesi, John Holyoake, Mark S.P Sansom

Journal:

Year:

2003

Language:

english

File:

PDF, 435 KB

english, 2003

18

The conformation of peptide thymosin α1 in solution and in a membrane-like environment by circular dichroism and NMR spectroscopy. a possible model for its interaction with the lymphocyte membrane

Alessandro Grottesi, Marco Sette, Anna Teresa Palamara, Giuseppe Rotilio, Enrico Garaci, Maurizio Paci

Journal:

Year:

1998

Language:

english

File:

PDF, 425 KB

english, 1998

19

Conformational Dynamics of the Ligand-Binding Domain of Inward Rectifier K Channels as Revealed by Molecular Dynamics Simulations: Toward an Understanding of Kir Channel Gating

Haider, Shozeb, Grottesi, Alessandro, Hall, Benjamin A., Ashcroft, Frances M., Sansom, Mark S.P.

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 600 KB

english, 2005

20

The Intrinsic Flexibility of the Kv Voltage Sensor and Its Implications for Channel Gating

Sands, Zara A., Grottesi, Alessandro, Sansom, Mark S.P.

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 420 KB

english, 2006

21

Filter Flexibility and Distortion in a Bacterial Inward Rectifier K+ Channel: Simulation Studies of KirBac1.1

Domene, Carmen, Grottesi, Alessandro, Sansom, Mark S.P.

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 578 KB

english, 2004

22

Zn 2+ Ions Selectively Induce Antimicrobial Salivary Peptide Histatin-5 To Fuse Negatively Charged Vesicles. Identification and Characterization of a Zinc-Binding Motif Present in the Functional Domain †

Melino, Sonia, Rufini, Stefano, Sette, Marco, Morero, Roberto, Grottesi, Alessandro, Paci, Maurizio, Petruzzelli, Raffaele

Journal:

Year:

1999

Language:

english

File:

PDF, 119 KB

english, 1999

23

Molecular Modelling Of BCRP (ABCG2) Multidrug Resistance Protein And Docking Of New Camptothecin Analogues

Grottesi, Alessandro, Mancini, Giordano, Desideri, Alessandro, Chillemi, Giovanni

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 36 KB

english, 2009

24

A P-helix Mutant In A Shaker-type Kv Channel Converts The Inactivated State Into A Conducting One

Labro, Alain J., Grottesi, Alessandro, Raes, Adam L., Snyders, Dirk J.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 57 KB

english, 2009

25

Editorial Board

Labro, Alain J., Grottesi, Alessandro, Raes, Adam L., Snyders, Dirk J.

Journal:

Zeitschrift für Pflanzenphysiologie

Year:

1976

File:

PDF, 341 KB

1976

26

Molecular Modelling and Experimental Analysis of the ATP Sensitivity of Cloned Smooth Muscle KATP Channels

Chadburn, Andrew, Grottesi, Alessandro, Smith, Keith, Moran, Oscar, Tammaro, Paolo

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 42 KB

english, 2012

27

Contributions of the central hydrophobic residue in the PXP motif of Voltage-Dependent K+ Channels to S6 flexibility and Gating Properties

Imbrici, Paola, Grottesi, Alessandro, D'Adamo, Maria Cristina, Tucker, Stephen J., Pessia, Mauro

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 44 KB

english, 2009

28

All-Atom Molecular Dynamics Simulations of the K+ Channel Chimera Kv1.2/Kv2.1

Grottesi, Alessandro, Imbrici, Paola, Chillemi, Giovanni, Pessia, Mauro

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 41 KB

english, 2010

29

Parametrisation of the free energy of ATP binding to wild-type and mutant Kir6.2 potassium channels

Moran, Oscar, Grottesi, Alessandro, Chadburn, Andrew J., Tammaro, Paolo

Journal:

Biophysical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.66 MB

english, 2013

30

Exploring the Effect of Gambierol on the Gating Machinery of Kv3.1 Channels

Kopljar, Ivan, Grottesi, Alessandro, Rainier, Jon D., Tytgat, Jan, Labro, Alain J., Snyders, Dirk J.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 42 KB

english, 2014

31

Gate Closure in Kv1.5 Channels is not Dependent on the Status of the Selectivity-Filter

Labro, Alain J., Grottesi, Alessandro, Snyders, Dirk J.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 38 KB

english, 2011

32

Insight into the Mechanism of Inactivation and pH Sensitivity in Potassium Channels from Molecular Dynamics Simulations †

Stansfeld, Phillip J., Grottesi, Alessandro, Sands, Zara A., Sansom, Mark S. P., Gedeck, Peter, Gosling, Martin, Cox, Brian, Stanfield, Peter R., Mitcheson, John S., Sutcliffe, Michael J.

Journal:

Year:

2008

Language:

english

File:

PDF, 7.65 MB

english, 2008

33

Vstx1, a Modifier of Kv Channel Gating, Localizes to the Interfacial Region of Lipid Bilayers †

Bemporad, Daniele, Sands, Zara A., Wee, Chze Ling, Grottesi, Alessandro, Sansom, Mark S. P.

Journal:

Year:

2006

Language:

english

File:

PDF, 688 KB

english, 2006

34

Molecular Dynamics Simulation Approaches to K Channels: Conformational Flexibility and Physiological Function

Grottesi, A., Domene, C., Haider, S., Sansom, M.S.P.

Journal:

IEEE Transactions on NanoBioscience

Year:

2005

Language:

english

File:

PDF, 737 KB

english, 2005

35

[IEEE 2010 Design, Automation & Test in Europe Conference & Exhibition (DATE 2010) - Dresden (2010.03.8-2010.03.12)] 2010 Design, Automation & Test in Europe Conference & Exhibition (DATE 2010) - Parallel subdivision surface rendering and animation on the Cell BE processor

Grottesi, R, Morigi, S, Ruggiero, M, Benini, L

Year:

2010

Language:

english

File:

PDF, 592 KB

english, 2010

36

Molecular dynamics simulations with constrained roto-translational motions: Theoretical basis and statistical mechanical consistency

Amadei, A., Chillemi, G., Ceruso, M. A., Grottesi, A., Di Nola, A.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 446 KB

english, 2000

37

[IEEE 2014 6th European Embedded Design in Education and Research Conference (EDERC) - Milano, Italy (2014.9.11-2014.9.12)] 2014 6th European Embedded Design in Education and Research Conference (EDERC) - Fault prognosis for rotating electrical machines monitoring using recursive least square

Rocchi, M., Mosciaro, F., Grottesi, F., Scortichini, M., Giantomassi, A., Pirro, M., Grisostomi, M., Ippoliti, G.

Year:

2014

Language:

english

File:

PDF, 2.15 MB

english, 2014

38

Diverse driving forces underlie the invariant occurrence of the T42A, E139D, I282V and T468M SHP2 amino acid substitutions causing Noonan and LEOPARD syndromes

Martinelli, S., Torreri, P., Tinti, M., Stella, L., Bocchinfuso, G., Flex, E., Grottesi, A., Ceccarini, M., Palleschi, A., Cesareni, G., Castagnoli, L., Petrucci, T. C., Gelb, B. D., Tartaglia, M.

Journal:

Human Molecular Genetics

Year:

2008

Language:

english

File:

PDF, 669 KB

english, 2008

39

Kv Channel Gating Requires a Compatible S4-S5 Linker and Bottom Part of S6, Constrained by Non-interacting Residues

Labro, A. J., Raes, A. L., Grottesi, A., Van Hoorick, D., Sansom, M. S.P., Snyders, D. J.

Journal:

The Journal of General Physiology

Year:

2008

Language:

english

File:

PDF, 3.55 MB

english, 2008

40

Novel phenotype associated with a mutation in the KCNA1(Kv1.1) gene

D'Adamo, Maria C., GallenmÃ¼ller, Constanze, Servettini, Ilenio, Hartl, Elisabeth, Tucker, Stephen J., Arning, Larissa, Biskup, Saskia, Grottesi, Alessandro, Guglielmi, Luca, Imbrici, Paola, Bernascon

Journal:

Frontiers in Physiology

Year:

2015

Language:

english

File:

PDF, 4.86 MB

english, 2015

41

A Kv channel with an altered activation gate sequence displays both "fast" and "slow" activation kinetics

Labro, A. J., Grottesi, A., Sansom, M. S. P., Raes, A. L., Snyders, D. J.

Journal:

AJP Cell Physiology

Year:

2008

Language:

english

File:

PDF, 931 KB

english, 2008

42

Episodic ataxia type 1 mutations affect fast inactivation of K+ channels by a reduction in either subunit surface expression or affinity for inactivation domain

Imbrici, P., D'Adamo, M. C., Grottesi, A., Biscarini, A., Pessia, M.

Journal:

AJP Cell Physiology

Year:

2011

Language:

english

File:

PDF, 1.15 MB

english, 2011

43

Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

D'Abramo, Marco, Besker, Neva, Chillemi, Giovanni, Grottesi, Alessandro

Journal:

Frontiers in Genetics

Year:

2014

Language:

english

File:

PDF, 441 KB

english, 2014

44

Thyroid Tumors in Children and Adolescents: Preoperative Study

Ardito, G., Pintus, C., Revelli, L., Grottesi, A., Modugno, P., Vincenzoni, C., Fadda, G., Perrelli, L.

Journal:

European Journal of Pediatric Surgery

Year:

2001

Language:

english

File:

PDF, 53 KB

english, 2001

45

Voltage-sensor conformation shapes the intra-membrane drug binding site that determines gambierol affinity in Kv channels

Kopljar, Ivan, Grottesi, Alessandro, de Block, Tessa, Rainier, Jon D., Tytgat, Jan, Labro, Alain J., Snyders, Dirk J.

Journal:

Neuropharmacology

Year:

2016

Language:

english

File:

PDF, 1.62 MB

english, 2016

46

Contribution of the central hydrophobic residue in the PXP motif of voltage-dependent K + channels to S6 flexibility and gating properties

Imbrici, Paola, Grottesi, Alessandro, D'Adamo, Maria C., Mannucci, Roberta, Tucker, Stephen J., Pessia, Mauro

Journal:

Year:

2009

Language:

english

File:

PDF, 999 KB

english, 2009

47

PROPOSAL FOR A VARIANT OF THE DUHAMEL TECHNIQUE OF PREPUTIOPLASTY

Grottesi, Alfonso, Steyaert, H.

Journal:

Plastic & Reconstructive Surgery

Year:

2003

File:

PDF, 1.70 MB

2003

48

Molecular simulations and lipid–protein interactions: potassium channels and other membrane proteins

Sansom, M.S.P., Bond, P.J., Deol, S.S., Grottesi, A., Haider, S., Sands, Z.A.

Journal:

Biochemical Society Transactions

Year:

2005

Language:

english

File:

PDF, 767 KB

english, 2005

49

Molecular simulations and lipid–protein interactions: potassium channels and other membrane proteins

Sansom, M.S.P., Bond, P.J., Deol, S.S., Grottesi, A., Haider, S., Sands, Z.A.

Journal:

Biochemical Society Transactions

Year:

2005

Language:

english

File:

PDF, 767 KB

english, 2005

50

Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations

Grottesi, Alessandro, Cecconi, Simone, Molina, Rafael, D'abramo, Marco

Journal:

Year:

2016

Language:

english

File:

PDF, 1010 KB

english, 2016

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