Giacomo Fiorin
Title
Cited by
Cited by
Year
Using collective variables to drive molecular dynamics simulations
G Fiorin, ML Klein, J Hénin
Molecular Physics 111 (22-23), 3345-3362, 2013
4212013
Exploring multidimensional free energy landscapes using time-dependent biases on collective variables
J Henin, G Fiorin, C Chipot, ML Klein
Journal of chemical theory and computation 6 (1), 35-47, 2010
3442010
Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus
R Acharya, V Carnevale, G Fiorin, BG Levine, AL Polishchuk, V Balannik, ...
Proceedings of the National Academy of Sciences 107 (34), 15075-15080, 2010
2242010
Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus
J Wang, Y Wu, C Ma, G Fiorin, J Wang, LH Pinto, RA Lamb, ML Klein, ...
Proceedings of the National Academy of Sciences 110 (4), 1315-1320, 2013
1802013
Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2
J Wang, C Ma, G Fiorin, V Carnevale, T Wang, F Hu, RA Lamb, LH Pinto, ...
Journal of the American Chemical Society 133 (32), 12834-12841, 2011
1222011
Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel
V Balannik, V Carnevale, G Fiorin, BG Levine, RA Lamb, ML Klein, ...
Biochemistry 49 (4), 696-708, 2010
1142010
Discovery of novel dual inhibitors of the wild-type and the most prevalent drug-resistant mutant, S31N, of the M2 proton channel from influenza A virus
J Wang, C Ma, J Wang, H Jo, B Canturk, G Fiorin, LH Pinto, RA Lamb, ...
Journal of medicinal chemistry 56 (7), 2804-2812, 2013
922013
Structure of water at charged interfaces: A molecular dynamics study
S Dewan, V Carnevale, A Bankura, A Eftekhari-Bafrooei, G Fiorin, ...
Langmuir 30 (27), 8056-8065, 2014
842014
On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation
P Vidossich, G Fiorin, M Alfonso-Prieto, E Derat, S Shaik, C Rovira
The Journal of Physical Chemistry B 114 (15), 5161-5169, 2010
822010
Theoretical description of deformed proton emitters: nonadiabatic quasiparticle method
G Fiorin, E Maglione, LS Ferreira
Physical Review C 67 (5), 054302, 2003
822003
High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction
JL Thomaston, M Alfonso-Prieto, RA Woldeyes, JS Fraser, ML Klein, ...
Proceedings of the National Academy of Sciences 112 (46), 14260-14265, 2015
712015
Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion
JE Donald, Y Zhang, G Fiorin, V Carnevale, DR Slochower, F Gai, ...
Proceedings of the National Academy of Sciences 108 (10), 3958-3963, 2011
652011
Flipping in the pore: discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant S31N mutant of the influenza A virus M2 …
Y Wu, B Canturk, H Jo, C Ma, E Gianti, ML Klein, LH Pinto, RA Lamb, ...
Journal of the American Chemical Society 136 (52), 17987-17995, 2014
632014
Pore waters regulate ion permeation in a calcium release-activated calcium channel
H Dong, G Fiorin, V Carnevale, W Treptow, ML Klein
Proceedings of the National Academy of Sciences 110 (43), 17332-17337, 2013
562013
Supramolecular polymerization of benzene-1, 3, 5-tricarboxamide: a molecular dynamics simulation study
KK Bejagam, G Fiorin, ML Klein, S Balasubramanian
The Journal of Physical Chemistry B 118 (19), 5218-5228, 2014
472014
Using metadynamics to understand the mechanism of calmodulin/target recognition at atomic detail
G Fiorin, A Pastore, P Carloni, M Parrinello
Biophysical journal 91 (8), 2768-2777, 2006
452006
Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes
CM MacDermaid, HK Kashyap, RH DeVane, W Shinoda, JB Klauda, ...
The Journal of chemical physics 143 (24), 12B625_1, 2015
402015
Unwinding the helical linker of calcium‐loaded calmodulin: A molecular dynamics study
G Fiorin, RR Biekofsky, A Pastore, P Carloni
Proteins: Structure, Function, and Bioinformatics 61 (4), 829-839, 2005
352005
Multiple proton confinement in the M2 channel from the influenza A virus
V Carnevale, G Fiorin, BG Levine, WF DeGrado, ML Klein
The Journal of Physical Chemistry C 114 (48), 20856-20863, 2010
322010
Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation
P Vidossich, PC Loewen, X Carpena, G Fiorin, I Fita, C Rovira
The Journal of Physical Chemistry B 118 (11), 2924-2931, 2014
292014
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Articles 1–20