| 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 | 295 | 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 | 195 | 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 | 185 | 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 | 172 | 2011 |
| 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 | 171 | 2016 |
| 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 | 169 | 2014 |
| 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 | 148 | 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 | 130 | 2010 |
| TRPV1: a target for rational drug design V Carnevale, T Rohacs Pharmaceuticals 9 (3), 52, 2016 | 127 | 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 | 115 | 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 | 90 | 2013 |
| 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 | 83 | 2016 |
| 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 | 83 | 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 | 81 | 2011 |
| 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 | 77 | 2014 |
| Analysis of the destabilization of bacterial membranes by quaternary ammonium compounds: a combined experimental and computational study S Alkhalifa, MC Jennings, D Granata, M Klein, WM Wuest, KPC Minbiole, ... ChemBioChem 21 (10), 1510-1516, 2020 | 72 | 2020 |
| 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 | 72 | 2008 |
| 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 | 71 | 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 | 71 | 2014 |
| 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 | 71 | 2011 |
Michael L KleinTemple UniversityPatvirtintas el. paštas temple.edu
