|
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|
2021 |
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|
83. A. T. Yazici, E. Gianti, M. A. Kasimova, B. Lee, V. Carnevale@, T. Rohacs@ corresponding author |
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|
Dual regulation of TRPV1 channels by phosphatidylinositol via functionally distinct binding sites |
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|
Journal of Biological Chemistry |
|||
|
|
|||
|
82. S. Abou-Hatab, V. Carnevale@, S. Matsika@ corresponding author |
|||
|
Modeling solvation effects on absorption and fluorescence spectra of indole in aqueous solution. |
|||
|
Journal of Chemical Physics |
|||
|
|
|||
|
81. Q. Novinger, A. Suma, D. Sigg, G. Gonnella, V. Carnevale@ corresponding author |
|||
|
Particle-based Ising model. |
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|
Physical Review E |
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|
|
|||
|
2020 |
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|
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|
80. J. Huang, A. Suma, M. Cui, G. Grundmeier, V. Carnevale, Y. Zhang, C. Kielar, A. Keller |
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|
Arranging Small Molecules with Sub‐Nanometer Precision on DNA Origami Substrates for the Single‐Molecule Investigation of Protein‐Ligand Interactions. |
|||
|
Small Structures |
|||
|
|
|||
|
79. A. Suma, D. Granata, A.S. Thomson, V. Carnevale@, B.S. Rothberg@ corresponding author |
|||
|
Polyamine Blockade and Binding Energetics in the MthK Potassium Channel. |
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|
Journal of General Physiology |
|||
|
|
Highlighted by a Journal Commentary. |
||
|
|
|||
|
78. A. Suma, A. Stopar, A. Nicholson, M. Castronovo, V. Carnevale@ corresponding author |
|||
|
Global and Local Mechanical Properties Control Endonuclease Reactivity of a DNA Origami Nanostructure. |
|||
|
Nucleic Acids Research |
|||
|
|
Featured on the Journal Cover. |
||
|
|
|||
|
77. D. Sigg, V.A. Voelz, and V. Carnevale@ corresponding author |
|||
|
Microcanonical Coarse-graining of the Kinetic Ising Model. |
|||
|
The Journal of Chemical Physics |
|||
|
|
|||
|
76. M.A. Kasimova, T. Lynagh, Z.P. Sheikh, D. Granata, C.B. Borg, V. Carnevale@, S.A. Pless@. corresponding author |
|||
|
Evolutionarily Conserved Interactions Within the Pore Domain of Acid-sensing Ion Channels. |
|||
|
Biophysical Journal |
|||
|
|
|||
|
2019 |
|||
|
|
|||
|
75. S. Alkhalifa, M. Jennings, D. Granata, M. Klein, W. M. Wuest, K. Minbiole, V. Carnevale@ corresponding author |
|||
|
Analysis of the Destabilization of Bacterial Membranes by Quaternary Ammonium Compounds: A Combined Experimental and Computational Study. |
|||
|
ChemBioChem |
|||
|
|
|||
|
74. R. Wang, V. Carnevale@, M.L. Klein, E. Borguet@ corresponding author |
|||
|
First Principles Calculation of Water pKa Using the Newly Developed SCAN Functional. |
|||
|
The Journal of Physical Chemistry Letters |
|||
|
|
|||
|
73. T. Chernov-Rogan, E. Gianti, E. Villemure, A. P. Cridland, X. Hu, E. Ballini, W. Lange, H. Deisemann, T. Li, S. I. Ward, D. H. Hackos, S. Magnuson, B. Safina, M. L. Klein, M. Volgraf, V. Carnevale@ and J. Chen@ corresponding author |
|||
|
TRPA1 Modulation by Piperidine-Carboxamides Suggests an Evolutionarily Conserved Binding Site and Gating Mechanism. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
72. I.K Sariyer, J. Gordon, T.H Burdo, H. Wollebo, E. Gianti, M. Donadoni, A. Bellizzi, S. Cicalese, R. Loomis, J.A. Robinson, V. Carnevale, J. Steiner, M.H. Ozdener, A.D. Miller, S. Amini, M.L. Klein, K. Khalili |
|||
|
Suppression of Zika Virus Infection in Brain by the Antiretroviral Drug, Rilpivirine. |
|||
|
Molecular Therapy |
|||
|
|
|||
|
71. S.J. Black, A.Y. Ozdemir, E. Kashkina, T. Kent, T. Rusanov, D. Ristic, Y. Shin, A. Suma, T. Hoang, G. Chandramouly, L.A. Siddique, N. Borisonnik, K. Sullivan-Reed, J.S. Mallon, T. Skorski, V. Carnevale, K.S. Murakami, C. Wyman, R. T. Pomerantz |
|||
|
Molecular Basis of Microhomology-mediated End-joining by Purified Full-length Polθ. |
|||
|
Nature Communications |
|||
|
|
|||
|
70. P. Scalia, G. Pandini, V. Carnevale, A. Giordano, S.J. Williams |
|||
|
Identification of a Novel EphB4 Phosphodegron Regulated by the Autocrine IGFII/IRA Axis in Malignant Mesothelioma. |
|||
|
Oncogene |
|||
|
|
|||
|
69. B.W. Roose, S.D. Zemerov, Y. Wang, M.A. Kasimova, V. Carnevale, I.J. Dmochowski |
|||
|
A Structural Basis for 129Xe Hyper-CEST Signal in TEM-1 β-Lactamase. |
|||
|
ChemPhysChem |
|||
|
|
|||
|
68. R. Wang, M. DelloStritto, R.C. Remsing, V. Carnevale@, M.L. Klein, and E. Borguet@ corresponding author |
|||
|
Sodium Halide Adsorption and Water Structure at the α-Alumina (0001)/Water Interface |
|||
|
The Journal of Physical Chemistry C |
|||
|
|
|||
|
2018 |
|||
|
|
|||
|
67. M. Kasimova, A. Yazici, D. Granata, M. L. Klein, T. Rohacs, V. Carnevale@ corresponding author |
|||
|
A Hypothetical Molecular Mechanism for TRPV1 Activation That Invokes Rotation of an S6 Asparagine. |
|||
|
Journal of General Physiology |
|||
|
|
|||
|
66. T.E. Hughes, R.A. Pumroy, A.T. Yazici, M.A. Kasimova, E. C. Fluck, K.W. Huynh, A. Samanta, S. Molugu, Z.H. Zhou, V. Carnevale, T. Rohacs V. Moiseenkova Bell. |
|||
|
Structural Insights on TRPV5 Gating by Endogenous Modulators. |
|||
|
Nature Communications |
|||
|
|
|||
|
65. E. Yang, D. Granata, R. G. Eckenhoff, V. Carnevale, M. Covarrubias |
|||
|
Propofol Inhibits Prokaryotic Voltage-gated Na+ Channels by Promoting Activation-coupled Inactivation. |
|||
|
Journal of General Physiology |
|||
|
|
|||
|
64. Y. Wang, E. Yang, M.M. Wells, V. Bondarenko, K. Woll, V. Carnevale, D. Granata, M.L. Klein, R. G. Eckenhoff, W.P. Dailey, M. Covarrubias, P. Tang, Y. Xu |
|||
|
Propofol Inhibits the Voltage-gated Sodium Channel NaChBac at Multiple Sites. |
|||
|
Journal of General Physiology |
|||
|
|
|||
|
63. V. Carnevale |
|||
|
Protonation Underlies Tonic vs. Use-dependent Block. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
62. M. Kasimova, A. Yazici, D. Granata, M. L. Klein, T. Rohacs, V. Carnevale@ corresponding author |
|||
|
Ion Channel Sensing: Are Fluctuations the Crux of the Matter? |
|||
|
The Journal of Physical Chemistry Letters |
|||
|
|
|||
|
61. S. Molinarolo, S. Lee, L. Leisle, J.D. Lueck, D. Granata, V. Carnevale, C. A. Ahern |
|||
|
Cross-kingdom Auxiliary Subunit Modulation of a Voltage-gated Sodium Channel. |
|||
|
Journal of Biological Chemistry |
|||
|
|
|||
|
60. E. Gianti, V. Carnevale@ corresponding author |
|||
|
Computational Approaches to Studying Voltage-Gated Ion Channel Modulation by General Anesthetics. In Chemical and Biochemical Approaches for the Study of Anesthetic Function, R. Eckenhoff and I. Dmochowski Eds. |
|||
|
Methods in Enzymology |
|||
|
|
|||
|
2017 |
|||
|
|
|||
|
59. S. Molinarolo, D. Granata, V. Carnevale@, and C.A. Ahern@ corresponding author |
|||
|
Mining Protein Evolution for Insights into Mechanisms of Voltage-Dependent Sodium Channel Auxiliary Subunits. In Sodium Channels and Related Diseases, Mohammed Chahine editor, Springer Nature |
|||
|
Handbook of Experimental Pharmacology |
|||
|
|
|||
|
58. R. J. Howard, V. Carnevale, L. Delemotte, U. A. Hellmich, and B. S. Rothberg |
|||
|
Permeating Disciplines: Overcoming Barriers Between Molecular Simulations and Classical Structure-function Approaches in Biological Ion Transport. |
|||
|
Biochimica et Biophysica Acta |
|||
|
|
|||
|
57. X. Steinberg, M. A. Kasimova, D. Cabezas-Bratesco, J. D. Galpin, E. Ladron-de-Guevara, F. Villa, V. Carnevale, L. Islas, C. A. Ahern, and S. E. Brauchi. |
|||
|
Conformational Dynamics in TRPV1 Channels Reported by an Encoded Coumarin Amino Acid. |
|||
|
eLife |
|||
|
|
|||
|
56. K.A. Woll, K.A Skinner, E. Gianti, N.V. Bhanu, B.A. Garcia, V. Carnevale, R.G. Eckenhoff, and R. Gaudet |
|||
|
Sites Contributing to TRPA1 Activation by the Anesthetic Propofol Identified by Photoaffinity Labeling. |
|||
|
Biophysical Journal |
|||
|
|
|||
|
55. D. Granata, L. Ponzoni, C. Micheletti, V. Carnevale@ corresponding author |
|||
|
Patterns of coevolving amino acids unveil structural and dynamical domains. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
Recommended by F1000Prime. |
||
|
|
|||
|
54. A. M Razavi, L. Delemotte, J. R. Berlin, V. Carnevale@, V. A. Voelz@ corresponding author |
|||
|
Molecular Simulations and Free energy calculations suggest a mechanism for Na,K-ATPase ion selectivity. |
|||
|
Journal of Biological Chemistry |
|||
|
|
|||
|
53. V. Carnevale@, M. L Klein@ corresponding author |
|||
|
Small Molecule Modulation of Voltage Gated Sodium Channels |
|||
|
Current Opinion in Structural Biology |
|||
|
|
|||
|
2016 |
|||
|
|
|||
|
52. V. Carnevale@, T. Rohacs@ corresponding author |
|||
|
TRPV1: a Target for Rational Drug Design |
|||
|
Pharmaceuticals |
|||
|
|
|||
|
51. S. C. van Keulen, E. Gianti, V. Carnevale, M. L. Klein, U. Rothlisberger, L. Delemotte |
|||
|
Does Proton Conduction in the Voltage-gated H+ Channel hHv1 Involve Grotthuss-like Hopping via Acidic Residues? |
|||
|
The Journal of Physical Chemistry B |
|||
|
|
|||
|
50. M. N. Kinde, V. Bondarenko D. Granata, W. Bu, P. Loll, V. Carnevale, M. L. Klein, R. G. Eckenhoff, P. Tang, Y. Xu |
|||
|
19F NMR Quantification of Isoflurane Binding to the Voltage-Gated Sodium Channel NaChBac. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
49. E. Gianti, L. Delemotte, M. L. Klein, V. Carnevale@ corresponding author |
|||
|
On the Role of Water Density Fluctuations in the Inhibition of a Proton Channel. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
48. D. Granata and V. Carnevale@ corresponding author |
|||
|
Accurate Estimation of the Intrinsic Dimension Using Graph Distances: Unraveling the Geometric Complexity of Datasets. |
|||
|
Scientific Reports |
|||
|
|
|||
|
47. Y. Wang, B. W. Roose, E. J. Palovcak, V. Carnevale, I. J. Dmochowski |
|||
|
A Genetically Encoded β-Lactamase Reporter for Ultrasensitive 129Xe NMR in Mammalian Cells. |
|||
|
Angewandte Chemie |
|||
|
|
|||
|
46. P. Velisetty, I. Borbiro, M. A. Kasimova, L. Liu, D. Badheka, V. Carnevale, T. Rohacs |
|||
|
A Molecular Determinant of Phosphoinositide Affinity in Mammalian TRPV Channels |
|||
|
Scientific Reports |
|||
|
|
|||
|
45. K. Elokely, P. Velisetty, L. Delemotte, E. Palovcak, M.L. Klein, T. Rohacs, V. Carnevale@ corresponding author |
|||
|
Understanding TRPV1 Activation by Ligands: Insights from the Binding Modes of Capsaicin and Resiniferatoxin |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
44. M.A. Kasimova, D. Granata, V. Carnevale@ corresponding author |
|||
|
Voltage-Gated Sodium Channels: Evolutionary History and Distinctive Sequence Features. In Sodium Channels Across Phyla and Functions, S. Noskov, S. Simon, R. French Eds. |
|||
|
Current Topics in Membranes |
|||
|
|
|||
|
2015 |
|||
|
|
|||
|
43. S.M. Mohamed, K.M. Elokely, E.Y. Bachkeet, S.A. Bayoumib, V. Carnevale, M.L. Klein, S.J. Cutler, S.A. Ross |
|||
|
New Glycosides and Trypanocidal Metabolites from Vangueria Edulis. |
|||
|
Natural Product Communications |
|||
|
|
|||
|
42. M. Covarrubias, A. F Barber, V. Carnevale, W. Treptow, and R. G Eckenhoff. |
|||
|
Mechanistic Insights Into the Modulation of Voltage-gated Ion Channels by Inhaled Anesthetics. |
|||
|
Biophysical Journal |
|||
|
|
|||
|
41. L. Ponzoni, G. Polles, V. Carnevale, and C. Micheletti. |
|||
|
SPECTRUS: a Dimensionality Reduction Approach for Identifying Dynamical Domains in Protein Complexes From Limited Structural Datasets. |
|||
|
Structure |
|||
|
|
Featured on the Journal Cover. |
||
|
|
|||
|
40. A. W. Nicholson, S. K. Redhu, A. Stopar, L. Coral, V. Carnevale, and M. Castronovo. |
|||
|
Emergent Properties and Functions of Nanoconfined Nucleic Acid Architectures. in RNA and DNA Diagnostics, RNA Technologies, V. Erdmann, S. Jurga, and J. Barciszewski Eds. Springer New York. |
|||
|
RNA Technologies |
|||
|
|
|||
|
39. E. Palovcak, L. Delemotte, M. Klein, and V. Carnevale@ corresponding author |
|||
|
Comparative Sequence Analysis Suggests a Conserved Gating Mechanism for TRP channels. |
|||
|
Journal of General Physiology |
|||
|
|
|||
|
38. L. Delemotte, M. A. Kasimova, M. L. Klein, M. Tarek, V. Carnevale@ corresponding author |
|||
|
Free Energy Landscape of Ion-Channel Voltage-Sensor-Domain Activation |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
37. S. Paudyal, M. Alfonso-Prieto, V. Carnevale, S. Redhu, M.L. Klein, A.W. Nicholson |
|||
|
Combined Computational and Experimental Analysis of a Complex of Ribonuclease III and the Regulatory Macrodomain Protein, YmdB |
|||
|
Proteins: Structure, Function, and Bioinformatics |
|||
|
2014 |
|||
|
|
|||
|
36. E. Gianti, V. Carnevale, W.F. Degrado, M.L. Klein, G. Fiorin |
|||
|
Hydrogen-bonded Water Molecules in the M2 Channel of the Influenza A Virus Guide the Binding Preferences of Ammonium-based Inhibitors. |
|||
|
The Journal of Physical Chemistry B |
|||
|
|
|||
|
35. A. Bankura, A. Karmakar, V. Carnevale@, A Chandra, M.L. Klein@ corresponding author |
|||
|
Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics. |
|||
|
The Journal of Physical Chemistry C |
|||
|
|
|||
|
34. S. Dewan, V. Carnevale, A. Bankura, A. Eftekhari-Bafrooei, G. Fiorin, M.L. Klein, E. Borguet. |
|||
|
Structure of Water at Charged Interfaces: A Molecular Dynamics Study. |
|||
|
Langmuir |
|||
|
|
|||
|
33. A.F. Barber, V. Carnevale, M.L. Klein, R.G. Eckenhoff, M. Covarrubias |
|||
|
Modulation of a Voltage-gated Na+ Channel by Sevoflurane Involves Multiple Sites and Distinct Mechanisms. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
32. A. Bankura, V. Carnevale@, M.L. Klein corresponding author |
|||
|
Hydration Structure of Na+ and K+ From Ab Initio Molecular Dynamics Based on Modern Density Functional Theory. |
|||
|
Molecular Physics |
|||
|
|
|||
|
31. E. Palovcak, L. Delemotte, M.L. Klein, V. Carnevale@ corresponding author |
|||
|
Evolutionary Imprint of Activation: The Design Principles of VSDs |
|||
|
Journal of General Physiology |
|||
|
|
Highlighted by a Journal Commentary. |
||
|
|
|||
|
30. V.C. Quy*, V. Carnevale*, L. Manganaro, M. Lusic, G. Rossetti, V. Leone, C. Fenollar-Ferrer, S. Raugei, G. Del Sal, M. Giacca, P. Carloni *equal contribution |
|||
|
HIV-1 Integrase Binding to its Cellular Partners: A Perspective from Computational Biology. |
|||
|
Current Pharmaceutical Design |
|||
|
2013 |
|||
|
|
|||
|
29. H. Dong, G. Fiorin, V. Carnevale, W. Treptow, M.L. Klein |
|||
|
Pore Waters Regulate Ion Permeation in a Calcium Release-activated Calcium Channel. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
28. A. Ma*, G. Fiorin*, V. Carnevale*, R.A. Lamb, M.L. Klein, W.F. DeGrado, L.H. Pinto (*equal contribution) |
|||
|
Asp44 Stabilizes the Trp41 Gate of the M2 Proton Channel of Influenza A Virus |
|||
|
Structure |
|||
|
|
|||
|
27. S.G. Raju, A.B. Barber, D. LeBard, M.L. Klein, V. Carnevale@ corresponding author |
|||
|
Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation |
|||
|
PLOS Computational Biology |
|||
|
|
|||
|
26. A. Bankura, M. L. Klein, V. Carnevale@ corresponding author |
|||
|
Proton Affinity of the Histidine-tryptophan Cluster Motif From the Influenza A Virus From Ab Initio Molecular Dynamics. |
|||
|
Chemical Physics |
|||
|
|
|||
|
25. L. Stock, L. Delemotte, V. Carnevale, W. Treptow, M.L. Klein |
|||
|
Conduction in a Biological Sodium Channel. |
|||
|
The Journal of Physical Chemistry B |
|||
|
|
|||
|
24. A. Bankura, V. Carnevale, M. L. Klein |
|||
|
Hydration Structure of Salt Solutions From Ab Initio Molecular Dynamics |
|||
|
Journal of Chemical Physics |
|||
|
2012 |
|||
|
|
|||
|
23. C. Amaral, V. Carnevale, M. L. Klein, W. Treptow |
|||
|
Exploring Conformational States of the Bacterial Voltage-gated Sodium Channel NavAb Via Molecular Dynamics Simulations. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
Highlighted by a Journal Commentary. |
||
|
|
|||
|
22. A.F. Barber*, V. Carnevale*, S.G. Raju*, C. Amaral, W. Treptow, M.L. Klein *equal contribution |
|||
|
Hinge-bending Motions in the Pore Domain of a Bacterial Voltage-gated Sodium Channel. |
|||
|
Biochimica et Biophysica Acta |
|||
|
|
|||
|
21. C. Fenollar-Ferrer, C. Anselmi, V. Carnevale, S. Raugei, P. Carloni |
|||
|
Insights on the Acetylated NF-κB Transcription Factor Complex With DNA From Molecular Dynamics Simulations. |
|||
|
Proteins: Structure, Function, and Bioinformatics |
|||
|
|
|||
|
20. V. Caracciolo, G. Laurenti, G. Romano, V. Carnevale, A. M. Cimini, C. Crozier-Fitzgerald, E. Gentile, G. Russo, A. Giordano |
|||
|
Flavopiridol Induces Phosphorylation of AKT in a Human Glioblastoma Cell Line, in Contrast to siRNA-Mediated Silencing of Cdk9: Implications for Drug Design and Development. |
|||
|
Cell Cycle |
|||
|
2011 |
|||
|
|
|||
|
19. V. Carnevale, W. Treptow, M.L. Klein |
|||
|
Sodium Ion Binding Sites and Hydration in the Lumen of a Bacterial Ion Channel from Molecular Dynamics Simulations. |
|||
|
The Journal of Physical Chemistry Letters |
|||
|
|
|||
|
18. J. Wang, C. Ma, G. Fiorin, V. Carnevale, T. Wang, F. Hu, R.A. Lamb, L.H. Pinto, M. Hong, M.L. Klein, W.F. DeGrado |
|||
|
Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2. |
|||
|
Journal of the American Chemical Society |
|||
|
2010 |
|||
|
|
|||
|
17. J.E. Donald, Y. Zhang, G. Fiorin, V. Carnevale, D.R. Slochower, F. Gai, M.L. Klein, W.F. DeGrado |
|||
|
Transmembrane Orientation and Possible Role of the Fusogenic Peptide from Parainfluenza Virus 5 (PIV5) in Promoting Fusion. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
|||
|
16. V. Carnevale, C. Micheletti, F. Pontiggia and R. Potestio |
|||
|
Bridging the Atomic and Coarse-Grained Descriptions of Collective Motions in Proteins. In A. Kolinski editor, Springer New York |
|||
|
Multiscale Approaches to Protein Modeling |
|||
|
|
|||
|
15. G. Fiorin, V. Carnevale, W.F. DeGrado. |
|||
|
The Flu's Proton Escort. |
|||
|
Science |
|||
|
|
|||
|
14. V. Carnevale, G. Fiorin, B. G. Levine, W.F. DeGrado, M.L. Klein. |
|||
|
Multiple Proton Confinement in the M2 Channel From the Influenza A Virus. |
|||
|
The Journal of Physical Chemistry C |
|||
|
|
|||
|
13. R. Acharya*, V. Carnevale*, G. Fiorin*, B. G. Levine*, A.L. Polishchuk*, V. Balannik, I. Samish, R.A. Lamb, L.H. Pinto, W.F. DeGrado, M.L. Klein. *equal contribution |
|||
|
Structure and Mechanism of Proton Transport Through the Transmembrane Tetrameric M2 Protein Bundle of the Influenza A Virus. |
|||
|
Proceedings of the National Academy of Sciences USA |
|||
|
|
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12. V. Balannik, V. Carnevale, G. Fiorin, B. G. Levine, R.A. Lamb, M.L. Klein, W.F. Degrado, L.H. Pinto. |
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Functional Studies and Modeling of Pore-lining Residue Mutants of the Influenza A Virus M2 Ion Channel. |
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Biochemistry |
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2009 |
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11. V. Carnevale, S. Raugei. |
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Structural Aspects of the Solvation Shell of Lysine and Acetylated Lysine: A Car-Parrinello and Classical Molecular Dynamics Investigation. |
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Journal of Chemical Physics |
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10. V. Carnevale, S. Raugei, M. Neri, S. Pantano, C. Micheletti, and P. Carloni. |
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Multi-scale Modeling of HIV-1 Proteins. |
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Journal of Molecular Structure-Theochem |
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2008 |
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9. C. Fenollar Ferrer*, V. Carnevale*, S. Raugei, and P. Carloni. *equal contribution |
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HIV-1 Integrase-DNA Interactions Investigated by Molecular Modelling. |
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Computational and Mathematical Methods in Medicine |
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8. V. Carnevale, S. Raugei, S. Piana, and P. Carloni. |
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On the Nature of the Reaction Intermediate in the HIV-1 Protease: a Quantum Chemical Study. |
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Computer Physics Communications |
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7. A. Zen, V. Carnevale, A. M. Lesk, and C. Micheletti. |
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Correspondences Between Low-energy Modes in Enzymes: Dynamics-based Alignment of Enzymatic Functional Families. |
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Protein Science |
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6. M. Neri, M. Baaden, V. Carnevale, C. Anselmi, A. Maritan, and P. Carloni. |
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Microseconds Dynamics Simulations of the Outer-membrane Protease T. |
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Biophysical Journal |
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2007 |
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5. V. Carnevale, S. Raugei, C. Micheletti, and P. Carloni. |
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Large-scale Motions and Electrostatic Properties of Furin and HIV-1 Protease. |
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The Journal of Physical Chemistry A |
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4. V. Carnevale, F. Pontiggia, and C. Micheletti. |
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Structural and Dynamical Alignment of Enzymes with Partial Structural Similarity. |
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Journal of Physics - Condensed Matter |
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2006 |
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3. V. Carnevale, S. Raugei, C. Micheletti, and P. Carloni. |
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Convergent Dynamics in the Protease Enzymatic Superfamily. |
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Journal of the American Chemical Society |
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2. M. Neri, C. Anselmi, V. Carnevale, A. Vargiu, and P. Carloni. |
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Molecular Dynamics Simulations of Outer-membrane Protease T From E-coli Based on a Hybrid Coarse-grained/Atomistic Potential. |
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Journal of Physics - Condensed Matter |
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2003 |
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1. R. Asgari, M. Polini, V. Carnevale, and M. Tosi. |
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Vibrational Excitations in the Paired Phases of a Two-dimensional Electron Crystal in a Perpendicular Magnetic Field. |
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Physica B - Condensed Matter |
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