ENERGETICS OF C20 AND C22 FULLERENE AND NEAR-FULLERENE CARBON CAGES
M. C. Domene , P. W. Fowler , D. Mitchell , G. Seifert
Journal of Physical Chemistry A 101 ( 44) 8339 -8344
29
1997
A transferable representation of the induced multipoles in ionic crystals
CARMEN DOMENE , PATRICK W. FOWLER , MARK WILSON , PAUL A. MADDEN
Molecular Physics 100 ( 24) 3847 -3865
14
2002
Role of geometrical relaxation in solution of simple molecules exhibiting anomeric effects
Enrique Sánchez Marcos , Rafael R. Pappalardo , JoséLuis Chiara , M.Carmen Domene
Journal of Molecular Structure-theochem 371 245 -256
12
1996
Ion channel structures: a review of recent progress.
Mark S P Sansom , Shozeb Haider , Carmen Domene
Current Opinion in Drug Discovery & Development 6 ( 5) 611 -619
16
2003
The ligand-bound state of a G protein-coupled receptor stabilizes the interaction of functional cholesterol molecules.
Thierry Durroux , Bernard Mouillac , Leonardo Darré , Mylène Pezet
Journal of Lipid Research 62 100059 -100059
13
2021
Structure based analysis of K ATP channel with a DEND syndrome mutation in murine skeletal muscle
Yuko Maejima , Songji Zhao , Kenju Shimomura , Carmen Domene
Scientific Reports 11 ( 1) 6668
2021
The use of multiscale molecular simulations in understanding a relationship between the structure and function of biological systems of the brain: The application to monoamine oxidase enzymes
Robert Vianello , Carmen Domene , Janez Mavri
Frontiers in Neuroscience 10 327 -327
44
2016
Antibiotic resistance and host immune evasion in Staphylococcus aureus mediated by a metabolic adaptation.
Jhih-Hang Jiang , Md Saruar Bhuiyan , Hsin-Hui Shen , David R. Cameron
Proceedings of the National Academy of Sciences of the United States of America 116 ( 9) 3722 -3727
20
2019
Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis.
Satyavani Vemparala , Carmen Domene , Michael L. Klein
Biophysical Journal 94 ( 11) 4260 -4269
20
2008
Model-Based Prediction of the α-Hemolysin Structure in the Hexameric State
Simone Furini , Carmen Domene , Michele Rossi , Marco Tartagni
Biophysical Journal 95 ( 5) 2265 -2274
19
2008
Simulating the Pyrolysis of Polyazides: a Mechanistic Case Study of the [P(N3)6]− Anion
Carmen Domene , Peter Portius , Patrick W. Fowler , Leonardo Bernasconi
Inorganic Chemistry 52 ( 4) 1747 -1754
2
2013
Surfactin at the Water/Air Interface and in Solution
Javier Iglesias-Fernández , Leonardo Darré , Axel Kohlmeyer , Robert K. Thomas
Langmuir 31 ( 40) 11097 -11104
12
2015
Dynamics, Energetics, and Selectivity of the Low-K+ KcsA Channel Structure
Carmen Domene , Simone Furini
Journal of Molecular Biology 389 ( 3) 637 -645
33
2009
Selectivity and Permeation of Alkali Metal Ions in K+-channels
Simone Furini , Carmen Domene
Journal of Molecular Biology 409 ( 5) 867 -878
25
2011
Differential Stability of Aurein 1.2 Pores in Model Membranes of Two Probiotic Strains
Galo E. Balatti , Carmen Domene , M. Florencia Martini , Monica Pickholz
Journal of Chemical Information and Modeling 60 ( 10) 5142 -5152
1
2020
Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields.
Riccardo Ocello , Simone Furini , Francesca Lugli , Maurizio Recanatini
Journal of Chemical Information and Modeling 60 ( 12) 6532 -6543
9
2020
Role of Zinc and Magnesium Ions in the Modulation of Phosphoryl Transfer in Protein Tyrosine Phosphatase 1B
Elisa Bellomo , Asma Abro , Christer Hogstrand , Wolfgang Maret
Journal of the American Chemical Society 140 ( 12) 4446 -4454
10
2018
Examining ion channel properties using free-energy methods
Carmen Domene , Simone Furini
Methods in Enzymology 466 155 -177
17
2009
K(+) and Na(+) conduction in selective and nonselective ion channels via molecular dynamics simulations.
Simone Furini , Carmen Domene
Biophysical Journal 105 ( 8) 1737 -1745
45
2013
Development of GoSlo-SR-5-69, a potent activator of large conductance Ca2+-activated K+ (BK) channels
Subhrangsu Roy , Roddy J. Large , Adebola Morayo Akande , Aravind Kshatri
European Journal of Medicinal Chemistry 75 426 -437
22
2014