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1 . Academic Journal
In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase
저자
by
de Candia, Modesto
;
Titov, Alexander A.
;
Viayna, Antonio
;
Kulikova, Larisa N.
;
Purgatorio, Rosa
, et al.
소스
In
Chemico-Biological Interactions
1 December 2023 386
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7 . Academic Journal
Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds
저자
by
Viayna, Antonio
;
Ghashghaei, Ouldouz
;
Vílchez, David
;
Estarellas, Carolina
;
López, Manuel
, et al.
소스
In
Fuel
1 December 2021 305
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7 . Conference
Towards an Understanding of the Lipophilicity of Non-Coded Amino Acids: Computational Simulations of Proline Analogs
저자
by
Matamoros, Paulina
;
Pinheiro, Silvana
;
Viayna, Antonio
;
Zamora, William
.
소스
2022 IEEE 4th International Conference on BioInspired Processing (BIP) BioInspired Processing (BIP), 2022 IEEE 4th International Conference on. :1-5 Nov, 2022
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6 . Academic Journal
First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents
저자
by
Alencar, Nelson
;
Sola, Irene
;
Linares, María
;
Juárez-Jiménez, Jordi
;
Pont, Caterina
, et al.
소스
In
European Journal of Medicinal Chemistry
25 February 2018 146:108-122
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7 . Academic Journal
Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening.
저자
by
Jiang, Xiangyi
;
Li, Jing
;
Viayna, Antonio
;
Luque, F. Javier
;
Woodson, Molly
, et al.
소스
RSC Medicinal Chemistry; Oct2023, Vol. 14 Issue 10, p2068-2078, 11p
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7 . Academic Journal
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models.
저자
by
Zamora, William J.
;
Viayna, Antonio
;
Pinheiro, Silvana
;
Curutchet, Carles
;
Bisbal, Laia
, et al.
소스
Physical Chemistry Chemical Physics (PCCP); 7/21/2023, Vol. 25 Issue 27, p17952-17965, 14p
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7 . Academic Journal
Three to Tango: Inhibitory Effect of Quercetin and Apigenin on Acetylcholinesterase, Amyloid-β Aggregation and Acetylcholinesterase-Amyloid Interaction.
저자
by
Álvarez-Berbel, Irene
;
Espargaró, Alba
;
Viayna, Antonio
;
Caballero, Ana Belén
;
Busquets, Maria Antònia
, et al.
소스
Pharmaceutics
. Nov2022, Vol. 14 Issue 11, p2342. 19p.
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7 . Periodical
Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors viaclick-chemistry-based rapid screeningElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3md00306j
저자
by
Jiang, Xiangyi
;
Li, Jing
;
Viayna, Antonio
;
Luque, F. Javier
;
Woodson, Molly
, et al.
소스
MedChemComm; 2023, Vol. 14 Issue: 10 p2068-2078, 11p
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7 . Academic Journal
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model.
저자
by
Viayna, Antonio
;
Pinheiro, Silvana
;
Curutchet, Carles
;
Luque, F. Javier
;
Zamora, William J.
.
소스
Journal of Computer-Aided Molecular Design
. Jul2021, Vol. 35 Issue 7, p803-811. 9p.
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7 . Periodical
Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives
저자
by
Viayna, Antonio
;
Antermite, Salvatore G.
;
de Candia, Modesto
;
Altomare, Cosimo D.
;
Luque, F. Javier
.
소스
The Journal of Physical Chemistry - Part B; January 2020, Vol. 124 Issue: 1 p28-37, 10p
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