Παρακολούθηση
Pedro A Valiente
Pedro A Valiente
Donnelly Center for Cellular and Biomolecular Research, Faculty of Medicine, University of Toronto
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα utoronto.ca
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Παρατίθεται από
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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
14512021
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
2532020
Computational design of potent D-peptide inhibitors of SARS-CoV-2
PA Valiente, H Wen, S Nim, JA Lee, HJ Kim, J Kim, A Perez-Riba, ...
Journal of medicinal chemistry 64 (20), 14955-14967, 2021
522021
Identification of inhibitors of CD36-amyloid beta binding as potential agents for Alzheimer’s disease
D Doens, PA Valiente, AM Mfuh, A XT Vo, A Tristan, L Carreño, M Quijada, ...
ACS chemical neuroscience 8 (6), 1232-1241, 2017
452017
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
422019
Improving the LIE method for binding free energy calculations of protein–ligand complexes
WE Miranda, SY Noskov, PA Valiente
Journal of chemical information and modeling 55 (9), 1867-1877, 2015
412015
Differences in activity of actinoporins are related with the hydrophobicity of their N-terminus
U Ros, W Rodríguez-Vera, L Pedrera, PA Valiente, S Cabezas, ME Lanio, ...
Biochimie 116, 70-78, 2015
392015
Disrupting a key hydrophobic pair in the oligomerization interface of the actinoporins impairs their pore‐forming activity
H Mesa‐Galloso, KH Delgado‐Magnero, S Cabezas, A López‐Castilla, ...
Protein Science 26 (3), 550-565, 2017
332017
Unraveling the binding mechanism of polyoxyethylene sorbitan esters with bovine serum albumin: A novel theoretical model based on molecular dynamic simulations
KH Delgado-Magnero, PA Valiente, M Ruiz-Peña, A Pérez-Gramatges, ...
Colloids and Surfaces B: Biointerfaces 116, 720-726, 2014
312014
Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor
R García-Fernández, T Pons, M Perbandt, PA Valiente, A Talavera, ...
Journal of structural biology 180 (2), 271-279, 2012
302012
Biophysical and biochemical strategies to understand membrane binding and pore formation by sticholysins, pore-forming proteins from a sea anemone
C Alvarez, U Ros, A Valle, L Pedrera, C Soto, YP Hervis, S Cabezas, ...
Biophysical reviews 9, 529-544, 2017
282017
The membranotropic activity of N-terminal peptides from the pore-forming proteins sticholysin I and II is modulated by hydrophobic and electrostatic interactions as well as …
U Ros, L Pedrera, D Díaz, JC De Karam, TP Sudbrack, PA Valiente, ...
Journal of biosciences 36, 781-791, 2011
272011
Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations
PA Valiente, PR Batista, A Pupo, T Pons, A Valencia, PG Pascutti
Proteins: Structure, Function, and Bioinformatics 73 (2), 440-457, 2008
252008
HelixGAN a deep-learning methodology for conditional de novo design of α-helix structures
X Xie, PA Valiente, PM Kim
Bioinformatics 39 (1), btad036, 2023
222023
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
222017
Differential binding and activity of the pore-forming toxin sticholysin II in model membranes containing diverse ceramide-derived lipids
C Soto, A Del Valle, PA Valiente, U Ros, ME Lanio, AM Hernández, ...
Biochimie 138, 20-31, 2017
222017
New parameterization approaches of the LIE method to improve free energy calculations of PlmII‐inhibitors complexes
PA Valiente, A Gil L, PR Batista, ER Caffarena, T Pons, PG Pascutti
Journal of computational chemistry 31 (15), 2723-2734, 2010
212010
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
202019
Computational proteomics pitfalls and challenges: HavanaBioinfo 2012 workshop report
Y Perez-Riverol, H Hermjakob, O Kohlbacher, L Martens, D Creasy, J Cox, ...
Journal of proteomics 87, 134-138, 2013
202013
Computational perspectives into plasmepsins structure—function relationship: implications to inhibitors design
A Gil L, PA Valiente, PG Pascutti, T Pons
Journal of tropical medicine 2011 (1), 657483, 2011
202011
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