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Eleonora Gianti
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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
762014
Synthesis and biological evaluation of N-hydroxyphenylacrylamides and N-hydroxypyridin-2-ylacrylamides as novel histone deacetylase inhibitors
F Thaler, A Colombo, A Mai, R Amici, C Bigogno, R Boggio, A Cappa, ...
Journal of Medicinal Chemistry 53 (2), 822-839, 2009
312009
Sites Contributing to TRPA1 Activation by the Anesthetic Propofol Identified by Photoaffinity Labeling
GR Woll KA, Skinner KA, Gianti E, Bhanu NV, Garcia BA, Carnevale V, Eckenhoff RG
Biophys J, DOI:10.1016/j.bpj.2017.08.040, 2017
28*2017
Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors
E Gianti, V Carnevale, WF DeGrado, ML Klein, G Fiorin
The Journal of Physical Chemistry B 119 (3), 1173-1183, 2015
282015
Identification and selection of “privileged fragments” suitable for primary screening
E Gianti, L Sartori
Journal of Chemical Information and Modeling 48 (11), 2129-2139, 2008
282008
Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?
S van Keulen, E Gianti, V Carnevale, M Klein, U Rothlisberger, ...
J Phys Chem B, DOI:10.1021/acs.jpcb.6b08339, 2016
272016
Computational analysis of EBNA1 “druggability” suggests novel insights for Epstein-Barr virus inhibitor design
E Gianti, TE Messick, PM Lieberman, RJ Zauhar
Journal of computer-aided molecular design 30 (4), 285-303, 2016
272016
On the role of water density fluctuations in the inhibition of a proton channel
E Gianti, L Delemotte, ML Klein, V Carnevale
Proceedings of the National Academy of Sciences 113 (52), E8359-E8368, 2016
262016
TRPA1 modulation by piperidine carboxamides suggests an evolutionarily conserved binding site and gating mechanism
T Chernov-Rogan, E Gianti, C Liu, E Villemure, AP Cridland, X Hu, ...
Proceedings of the National Academy of Sciences 116 (51), 26008-26019, 2019
172019
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery
RJ Zauhar, E Gianti, WJ Welsh
Journal of Computer-Aided Molecular Design 27 (12), 1009-1036, 2013
172013
Modeling androgen receptor flexibility: a binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapy
E Gianti, RJ Zauhar
Journal of chemical information and modeling 52 (10), 2670-2683, 2012
152012
Suppression of zika virus infection in the brain by the antiretroviral drug rilpivirine
IK Sariyer, J Gordon, TH Burdo, HS Wollebo, E Gianti, M Donadoni, ...
Molecular Therapy 27 (12), 2067-2079, 2019
142019
An SH2 domain model of STAT5 in complex with phospho-peptides define “STAT5 Binding Signatures”
E Gianti, RJ Zauhar
Journal of computer-aided molecular design 29 (5), 451-470, 2015
132015
Dual regulation of TRPV1 channels by phosphatidylinositol via functionally distinct binding sites
AT Yazici, E Gianti, MA Kasimova, BH Lee, V Carnevale, T Rohacs
Journal of Biological Chemistry 296, 2021
62021
Structure-Activity Relationship and Drug Design
RJ Zauhar, E Gianti
Remington, The Science and Practice of Pharmacy,, 468-478, 2012
5*2012
Computational approaches to studying voltage-gated ion channel modulation by general anesthetics
E Gianti, V Carnevale
Methods in Enzymology 602, 25-59, 2018
42018
PoInTree: a polar and interactive phylogenetic tree.
M Carreras, E Gianti, L Sartori, SE Plyte, A Isacchi, R Bosotti
Genomics Proteomics Bioinformatics 3 (1), 58-60, 2005
3*2005
Structure–activity relationships and drug design
E Gianti, RJ Zauhar
Remington, 129-153, 2021
22021
Machine Learning at the Interface of Polymer Science and Biology: How Far Can We Go?
E Gianti, S Percec
Biomacromolecules 23 (3), 576-591, 2022
12022
Phosphoinositides regulate the TRPV1 channel via two functionally distinct binding sites
AT Yazici, E Gianti, MA Kasimova, V Carnevale, T Rohacs
BioRxiv, 558874, 2019
12019
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Articles 1–20