Giacomo Fiorin
Titolo
Citata da
Citata da
Anno
Using collective variables to drive molecular dynamics simulations
G Fiorin, ML Klein, J Hénin
Molecular Physics 111 (22-23), 3345-3362, 2013
4772013
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
3592010
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
2342010
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
1882013
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
1302011
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
1152010
Scalable molecular dynamics on CPU and GPU architectures with NAMD
JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ...
The Journal of Chemical Physics 153 (4), 044130, 2020
992020
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
972013
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
912014
Theoretical description of deformed proton emitters: nonadiabatic quasiparticle method
G Fiorin, E Maglione, LS Ferreira
Physical Review C 67 (5), 054302, 2003
912003
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
852010
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
742015
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
672014
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
662011
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
612013
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
502014
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
482006
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
472015
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
372005
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
342010
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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