Author: Carolina Estarellas

David, William and Constantí attended the “XI Jornada de Recerca de la Facultat de Farmàcia i Ciències de l’Alimentació”. The event was held in Barcelona on 17th of October. David and Constanti presented the posters entitled “Searching for potential lead compounds against Plasmodium falciparum glucose-6-phosphate dehydrogenase (G6PD): Binding Mode and Affinity studies” and “May a…

Eleonora defended her master thesis on 11th of October entitled “Investigating and disrupting the interaction between hemoglobin and MRSA hemophores: in silico approach to design novel antimicrobials”.

Ahmed presented his Master thesis on 21st of September entitled “Hemaglutinin mutation causing drug resistance in the Influenza A virus. Insights from molecular dynamics simulation”.

Toni Viayna completed a 3-month-stay in Universidad Complutense de Madrid (UCM) in Prof. José Manuel Bautista’s group. He remained from 3rd June until 28th September 2018 to collaborate in a project devoted to the discovery of new antiparasitic agents, that was a part of the “Unión Iberoamericana de Universidades (UIU)” project.

Prof. Javier Luque and Javier Vázquez have recently published an article related to the development and evaluation of Pharmascreen®, a tool designed in a collaboration with the company Pharmacellera®. The article was entitled: “Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen” and it was published on 27thAugust 2018 in Journal…

Irene defended her master thesis on 23rd of July entitled “Computer-guided search of suitable polyphenolic candidated for Aβ (42) covalent inhibition: a preliminary search”.

HB4116 Elnaz participated in the “Collaborative Computational Project for simulations of condensed phases (CCP5)” Summer School, which took place from 8th to 17th of Julyin Lancaster University, UK. She also presented a poster about Truncated Hemoglobin. Link: https://www.ccp5.ac.uk/summer_school_2018

Constantí Seira defended his PhD thesis on 12th of July entitled “Molecular Simulation applied to 11β-Hydroxysteroid dehydrogenase type 1 and temperature effect in Cytoglobin” in Sala de les Voltes from the Campus de l’Alimentació de Torribera.

This Annual Meeting allows the XRQTC members to share the findings obtained from their research. The aim of the event is broadening the views towards topics of interest for the community. It was held on 12thof July and William presented a talk with the title  “Development and Applications of Hydrophobic Models Represented by the Transfer Free Energy of…