Vincenzo Carnevale
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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
Hydration structure of salt solutions from ab initio molecular dynamics
A Bankura, V Carnevale, ML Klein
The Journal of chemical physics 138 (1), 2013
Structure, dynamics, and spectral diffusion of water from first-principles molecular dynamics
A Bankura, A Karmakar, V Carnevale, A Chandra, ML Klein
The Journal of Physical Chemistry C 118 (50), 29401-29411, 2014
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
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
Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin
K Elokely, P Velisetty, L Delemotte, E Palovcak, ML Klein, T Rohacs, ...
Proceedings of the National Academy of Sciences 113 (2), E137-E145, 2016
Structural insights on TRPV5 gating by endogenous modulators
TET Hughes, RA Pumroy, AT Yazici, MA Kasimova, EC Fluck, KW Huynh, ...
Nature communications 9 (1), 4198, 2018
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
TRPV1: a target for rational drug design
V Carnevale, T Rohacs
Pharmaceuticals 9 (3), 52, 2016
Molecular basis of microhomology-mediated end-joining by purified full-length Polθ
SJ Black, AY Ozdemir, E Kashkina, T Kent, T Rusanov, D Ristic, Y Shin, ...
Nature communications 10 (1), 4423, 2019
Exploring volatile general anesthetic binding to a closed membrane-bound bacterial voltage-gated sodium channel via computation
SG Raju, AF Barber, DN LeBard, ML Klein, V Carnevale
PLoS computational biology 9 (6), e1003090, 2013
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
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
Accurate estimation of the intrinsic dimension using graph distances: Unraveling the geometric complexity of datasets
D Granata, V Carnevale
Scientific reports 6 (1), 31377, 2016
Evolutionary imprint of activation: The design principles of VSDs
E Palovcak, L Delemotte, ML Klein, V Carnevale
Journal of General Physiology 143 (2), 145-156, 2014
Correspondences between low‐energy modes in enzymes: Dynamics‐based alignment of enzymatic functional families
A Zen, V Carnevale, AM Lesk, C Micheletti
Protein science 17 (5), 918-929, 2008
Convergent dynamics in the protease enzymatic superfamily
V Carnevale, S Raugei, C Micheletti, P Carloni
Journal of the American Chemical Society 128 (30), 9766–9772, 2006
Sodium ion binding sites and hydration in the lumen of a bacterial ion channel from molecular dynamics simulations
V Carnevale, W Treptow, ML Klein
The Journal of Physical Chemistry Letters 2 (19), 2504-2508, 2011
Free-energy landscape of ion-channel voltage-sensor–domain activation
L Delemotte, MA Kasimova, ML Klein, M Tarek, V Carnevale
Proceedings of the National Academy of Sciences 112 (1), 124-129, 2015
Modulation of a voltage-gated Na+ channel by sevoflurane involves multiple sites and distinct mechanisms
AF Barber, V Carnevale, ML Klein, RG Eckenhoff, M Covarrubias
Proceedings of the National Academy of Sciences 111 (18), 6726-6731, 2014
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