Antonio Viayna

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 5

Top Topics

Machine Learning

Molecular Dynamics Simulations

Advanced Cancer

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

RSC medicinal chemistry

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

William J Zamora, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, Francisco Javier Luque
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models. Physical chemistry chemical physics : PCCP (2023)
Xiangyi Jiang, Jing Li, Antonio Viayna, Francisco Javier Luque, Molly Woodson, Lanlan Jing, Shenghua Gao, Fabao Zhao, Minghui Xie, Karoly Toth, John Tavis, Ann E Tollefson, Xinyong Liu, Peng Zhan
Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening. RSC medicinal chemistry 14 (10) (2023)
Irene Álvarez-Berbel, Alba Espargaró, Antonio Viayna, Ana Belén Caballero, Maria Antònia Busquets, Patrick Gámez, Francisco Javier Luque, Raimon Sabatè
Three to Tango: Inhibitory Effect of Quercetin and Apigenin on Acetylcholinesterase, Amyloid-β Aggregation and Acetylcholinesterase-Amyloid Interaction. Pharmaceutics 14 (11) (2022)
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Francisco Javier Luque, William J Zamora
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model. Journal of computer-aided molecular design 35 (7) (2021)
Antonio Viayna, Salvatore G Antermite, Modesto de Candia, Cosimo Damiano Altomare, Francisco Javier Luque
Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives. The journal of physical chemistry. B 124 (1) (2019)