Harris Ioannidis
Harris Ioannidis
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα ebi.ac.uk
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Παρατίθεται από
Παρατίθεται από
Έτος
Interpreting thermodynamic profiles of aminoadamantane compounds inhibiting the M2 proton channel of influenza A by free energy calculations
N Homeyer, H Ioannidis, F Kolarov, G Gauglitz, C Zikos, A Kolocouris, ...
Journal of chemical information and modeling 56 (1), 110-126, 2016
222016
Resistance-mutation (N31) effects on drug orientation and channel hydration in amantadine-bound influenza A M2
ML Gleed, H Ioannidis, A Kolocouris, DD Busath
The Journal of Physical Chemistry B 119 (35), 11548-11559, 2015
202015
Alchemical free energy calculations and isothermal titration calorimetry measurements of aminoadamantanes bound to the closed state of influenza A/M2TM
H Ioannidis, A Drakopoulos, C Tzitzoglaki, N Homeyer, F Kolarov, ...
Journal of chemical information and modeling 56 (5), 862-876, 2016
182016
Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders
C Georgiou, I McNae, M Wear, H Ioannidis, J Michel, MD Walkinshaw
Journal of Molecular Biology 429 (16), 2556, 2017
172017
A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors
A De Simone, C Georgiou, H Ioannidis, AA Gupta, J Juárez-Jiménez, ...
Chemical science 10 (2), 542-547, 2019
92019
Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
J Juárez-Jiménez, AA Gupta, G Karunanithy, ASJS Mey, C Georgiou, ...
Chemical Science 11 (10), 2670-2680, 2020
72020
Computational design of a binding mode flip for the validation of a novel class of potent tri-vector cyclophilin inhibitors
A De Simone, C Georgiou, H Ioannidis, A Gupta, J Juarez-Jimenez, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Application of free energy calculation methods to fragment-based drug discovery: Identification of new cyclophilin binders
J Michel, C Georgiou, H Ioannidis, L McNae, M Wear, M Walkinshaw
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Atomic Level Characterisation of Millisecond-Time Scale Protein Motions through a Combined Molecular Simulations and NMR Approach
J Juárez-Jiménez, AA Gupta, G Karunanithy, ASJS Mey, C Georgiou, ...
bioRxiv, 490987, 2018
2018
Unravelling the intrinsic dynamics of cyclophilinA during protein-ligand interaction
AA Gupta, A de Simone, H Ioannidis, JJ Jimenez, C Georgiou, J Michel
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S160-S160, 2017
2017
Molecular Dynamics of Amantadine Block in M2 of Influenza A: WT VS S31N
ML Gleed, H Ioannidis, A Kolocouris, DD Busath
Biophysical Journal 108 (2), 19a, 2015
2015
Influenza a Blockers with Reduced Resistance Formation
A Kolocouris, FB Johnson, R Zell, M Schmidtke, FX Sureda, TA Cross, ...
Biophysical Journal 106 (2), 432a-433a, 2014
2014
Solid-State NMR Characterization of S31N M2 Transmembrane Domain Bound to Novel Adamantanes with Persistent In Vitro Efficacy
AK Wright, I Hung, C Tzitzoglaki, H Ioannidis, DD Busath, A Kolocouris, ...
Biophysical Journal 106 (2), 659a, 2014
2014
Dynamic design
J Juárez-jiménez, AA Gupta, G Karunanithy, A Mey, C Georgiou, ...
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