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Mario E. Valdés-Tresanco
Mario E. Valdés-Tresanco
Centre for Molecular Simulations, University of Calgary
Verified email at ucalgary.ca - Homepage
Title
Cited by
Cited by
Year
gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS
MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, E Moreno
Journal of chemical theory and computation 17 (10), 6281-6291, 2021
7562021
AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, E Moreno
Biology direct 15, 1-12, 2020
1552020
Discovery of potent and selective inhibitors of the Escherichia coli M1-aminopeptidase via multicomponent solid-phase synthesis of tetrazole-peptidomimetics
Y Méndez, G De Armas, I Pérez, T Rojas, ME Valdés-Tresanco, ...
European Journal of Medicinal Chemistry 163, 481-499, 2019
382019
Discovery of novel non-competitive inhibitors of mammalian neutral M1 aminopeptidase (APN)
I Pascual, PA Valiente, G García, ME Valdés-Tresanco, Y Arrebola, L Díaz, ...
Biochimie 142, 216-225, 2017
202017
Membrane remodeling by the lytic fragment of SticholysinII: implications for the toroidal pore model
H Mesa-Galloso, PA Valiente, ME Valdés-Tresanco, RF Epand, ME Lanio, ...
Biophysical journal 117 (9), 1563-1576, 2019
182019
Bestatin and bacitracin inhibit porcine kidney cortex dipeptidyl peptidase IV activity and reduce human melanoma MeWo cell viability
LR Méndez, Y Arrebola, ME Valdés-Tresanco, L Díaz-Guevara, ...
International Journal of Biological Macromolecules 164, 2944-2952, 2020
172020
Feeding practices and growth in a healthy population of Cuban infants
M Amador, MP Hermelo, M Valdes, M Ruiz, R Bueno
Food and Nutrition Bulletin 14 (2), 1-7, 1992
151992
Bacitracin is a non-competitive inhibitor of porcine M1 family neutral and glutamyl aminopeptidases
Y Arrebola, L Rivera, A Pedroso, R McGuire, MEV Tresanco, G Bergado, ...
Natural Product Research 35 (17), 2958-2962, 2021
112021
A new tool to perform end-state free energy calculations with GROMACS., 2021, 17
MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, ...
DOI: https://doi. org/10.1021/acs. jctc. 1c00645, 6281-6291, 0
10
Hexahydropyrrolo[2,3-b]indole Compounds as Potential Therapeutics for Alzheimer’s Disease
D Doens, ME Valdés-Tresanco, V Vasquez, MB Carreira, ...
ACS chemical neuroscience 10 (10), 4250-4263, 2019
92019
Actividad biológica complementaria in vitro del péptido antifúngico Cm-p5 y predicción in silico de sus regiones funcionales
M González-García, ME Valdés-Tresanco, CG Freitas, A Alba Menéndez, ...
Revista Cubana de Medicina Tropical 69 (1), 2017
8*2017
Bufadienolides preferentially inhibit aminopeptidase N among mammalian metallo-aminopeptidases; relationship with effects on human melanoma MeWo cells
IP Alonso, LR Méndez, FA García, ME Valdés-Tresanco, RA Bosch, ...
International Journal of Biological Macromolecules 229, 825-837, 2023
62023
Assessment of different parameters on the accuracy of computational alanine scanning of protein–protein complexes with the molecular mechanics/generalized born surface area method
ME Valdés-Tresanco, MS Valdés-Tresanco, E Moreno, PA Valiente
The Journal of Physical Chemistry B 127 (4), 944-954, 2023
62023
NbThermo: a new thermostability database for nanobodies
MS Valdés-Tresanco, ME Valdés-Tresanco, E Molina-Abad, E Moreno
Database 2023, baad021, 2023
62023
Understanding the disrupting mechanism of the Tau aggregation motif “306VQIVYK311” by phenylthiazolyl‐hydrazides inhibitors
E Moreno‐Castillo, YM Álvarez‐Ginarte, ME Valdés‐Tresanco, ...
Journal of Molecular Recognition 33 (9), e2848, 2020
52020
Structural modeling of nanobodies: a benchmark of state-of-the-art artificial intelligence programs
MS Valdés-Tresanco, ME Valdés-Tresanco, DE Jiménez-Gutiérrez, ...
Molecules 28 (10), 3991, 2023
42023
Tailored Parameterization of the LIE Method for Calculating the Binding Free Energy of Vps34–Inhibitor Complexes
MS Valdés-Tresanco, ME Valdés-Tresanco, M Rubio-Carrasquilla, ...
ACS omega 6 (44), 29525-29536, 2021
42021
Marine and coastal organisms: a source of biomedically relevant dipeptidyl peptidase IV inhibitors
IP Alonso, YA Sánchez, F Almeida, MEV Tresanco, LR Méndez, ...
Revista Cubana de Ciencias Biológicas 8 (2), 1-16, 2020
42020
Concentracion de zinc en el pelo de los ninos con enfermedad celiaca no tratada y en vias de recuperacion
M Amador, JR Molina, M Hermelo, A Gonzalez, M Valdes
Archivos latinoamericanos de nutricion, 1977
41977
Origin of the Phosphoprotein Phosphatase (PPP) sequence family in Bacteria: Critical ancestral sequence changes, radiation patterns and substrate binding features
D Kerk, ME Valdés-Tresanco, R Toth, SY Noskov, KKS Ng, GB Moorhead
BBA Advances, 2021
32021
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Articles 1–20