23rd European Symposium on Quantitative Structure-Activity Relationship

From 26th to 30th of September 2022, Javier Luque participated in the 23rd European Symposium on Quantitative Structure-Activity Relationship (23rd EuroQSAR) presenting the talk entitled “Assessing the Suitability of 3D QM-Derived Atomic Hydrophobicity Patterns for Ligand-Target Interactions” It was organized on behalf of QCMS and is chaired by Prof. Rebecca Wade (Heidelberg University and HITS, Heidelberg,…

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27th National Meeting on Medicinal Chemistry (NMMC27)

From 11th to 14th of September 2022, Antonio Viayna is participating in the “27th National Meeting on Medicinal Chemistry (NMMC27)”, organized by the Medicinal Chemistry Division of the Italian Chemical Society (DCF-SCI), at the city of Bari (Italy). Antonio, is presenting their work entitled “Combining Quantum Mechanics and Machine Learning in the search of the bioactive conformation…

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IQTC Meeting 2022

Last 19th and 20th of July of 2022, our group took part in the traditional IQTCUB (Institut de Química Teòrica i Computacional de la Universitat de Barcelona) meeting. Different CBCG group members attend to this meeting presenting communications and posters. In this edition, we were happy that the meeting came back to the usual face-to-face…

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Carolina Estarellas participated in the GRC

Our group member, Prof. Carolina Estarellas has participated as speaker in the prestigious Gordon Research Conference (GRC) that has been organized in the Rey Don Jaime Grand Hotel from July 17th to 22nd of 2022 in Castelldefels (Spain). This year main chairs were Prof. Zoe Cournia and Prof. Adrian E. Rotiberg. Her presentation was entitled…

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Javier Vázquez and Javier Luque’s Molecules Prize

Our group members, Javier Vázquez and Javier Luque have been awarded with Third Prize to the Best Paper Award given by Molecules journal.  The prize was given to the article entitled “Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches” authored by Javier Vázquez,  Manel López, Enric Gibert, Enric…

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17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop

From 8th to 12th of May 2022, Javier Luque participated in the 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop organized by the GDCh (Gessellschaft Deutscher Chemiker) and took place in Garmisch-Partenkirchen (Germany). Javier, presented the work entitled “Reliability of the IEFPCM-MST Continuum Solvation Model in the SAMPL Blind Challenge”, that represents an overview of…

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