[HTML][HTML] The autonomic signature of guilt in children: a thermal infrared imaging study
…, S Ebisch, T Aureli, D Bafunno, HA Ioannides… - PloS one, 2013 - journals.plos.org
So far inferences on early moral development and higher order self conscious emotions have
mostly been based on behavioral data. Emotions though, as far as arguments support, are …
mostly been based on behavioral data. Emotions though, as far as arguments support, are …
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods
…, S Corbett, M de Veij, H Ioannidis… - Nucleic acids …, 2024 - academic.oup.com
… As a result, 91% of the AUC data are now expressed in ‘ng h ml –1 ’ against 62%
previously, and 97% of the Cmax data are none expressed in ‘nM’ against 37% previously. …
previously, and 97% of the Cmax data are none expressed in ‘nM’ against 37% previously. …
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… - Journal of Chemical …, 2016 - ACS Publications
Adamantane derivatives, such as amantadine and rimantadine, have been reported to
block the transmembrane domain (TM) of the M2 protein of influenza A virus (A/M2) but their …
block the transmembrane domain (TM) of the M2 protein of influenza A virus (A/M2) but their …
Interpreting thermodynamic profiles of aminoadamantane compounds inhibiting the M2 proton channel of influenza A by free energy calculations
N Homeyer, H Ioannidis, F Kolarov… - Journal of Chemical …, 2016 - ACS Publications
The development of novel anti-influenza drugs is of great importance because of the capability
of influenza viruses to occasionally cross interspecies barriers and to rapidly mutate. One …
of influenza viruses to occasionally cross interspecies barriers and to rapidly mutate. One …
[HTML][HTML] 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… - Chemical …, 2019 - pubs.rsc.org
… For comparison the unsubstituted (R = H) urea has been reported to inhibit CypD with an IC
50 of 1.1 ± 0.2 μM. Although 13–15 only access the entrance of the three o'clock pocket, the …
50 of 1.1 ± 0.2 μM. Although 13–15 only access the entrance of the three o'clock pocket, the …
Resistance-mutation (N31) effects on drug orientation and channel hydration in amantadine-bound influenza A M2
The mechanism of amantadine binding to the S31 variant of the M2 protein of Influenza A is
well understood, but the reasons behind N31 M2 amantadine insensitivity remain under …
well understood, but the reasons behind N31 M2 amantadine insensitivity remain under …
[HTML][HTML] Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
…, ASJS Mey, C Georgiou, H Ioannidis… - Chemical …, 2020 - pubs.rsc.org
… (b) The probability distribution of the number of intra-molecular H-bonds … H} heteronuclear
NOE transfers for WT and D66A in the vicinity of the 70s loop. (h) Calculated 15 N–{ 1 H…
NOE transfers for WT and D66A in the vicinity of the 70s loop. (h) Calculated 15 N–{ 1 H…
Pushing the limits of detection of weak binding using fragment-based drug discovery: Identification of new cyclophilin binders
… The pocket preference appears to be dictated by the nature of H-bond donors and acceptors…
Figure 5 shows that crystallography indicates that the three fragments establish H-bond …
Figure 5 shows that crystallography indicates that the three fragments establish H-bond …
[HTML][HTML] E-scooter related injuries: Using natural language processing to rapidly search 36 million medical notes
Background Shareable e-scooters have become popular, but injuries to riders and bystanders
have not been well characterized. The goal of this study was to describe e-scooter injuries …
have not been well characterized. The goal of this study was to describe e-scooter injuries …
Evaluation of insulin resistance and sodium sensitivity in normotensive offspring of hypertensive individuals
M Pazarloglou, S Spaia, E Pagkalos, H Ioannidis… - American journal of …, 2007 - Elsevier
BACKGROUND: Sodium sensitivity (SS) and insulin resistance (IR) might be a common link
in the pathogenesis of essential hypertension. The aim of the present study is to investigate …
in the pathogenesis of essential hypertension. The aim of the present study is to investigate …