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Andrés M. Escorcia
Andrés M. Escorcia
Postdoctoral Researcher, Max-Planck-Institut für Dynamik komplexer technischer Systeme
Adresă de e-mail confirmată pe mpi-magdeburg.mpg.de
Titlu
Citat de
Citat de
Anul
Acetylation of (R, S)-propranolol catalyzed by Candida antarctica lipase B: An experimental and computational study
AM Escorcia, D Molina, MC Daza, M Doerr
Journal of Molecular Catalysis B: Enzymatic 98, 21-29, 2013
362013
Redesigning the Molecular Choreography to Prevent Hydroxylation in Germacradien-11-ol Synthase Catalysis
PL Srivastava, AM Escorcia, F Huynh, DJ Miller, RK Allemann, ...
ACS Catalysis 11, 1033-1041, 2021
292021
Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B
AM Escorcia, K Sen, MC Daza, M Doerr, W Thiel
ACS Catalysis 7 (1), 115-127, 2017
282017
QM/MM study of the taxadiene synthase mechanism
JPM van Rijn, AM Escorcia, W Thiel
Journal of computational chemistry 40 (21), 1902-1910, 2019
262019
Molecular dynamics study of taxadiene synthase catalysis
AM Escorcia, JPM van Rijn, GJ Cheng, P Schrepfer, TB Brück, W Thiel
Journal of computational chemistry 39 (19), 1215-1225, 2018
222018
Computational study of the enantioselectivity of the O-acetylation of (R, S)-propranolol catalyzed by Candida antarctica lipase B
AM Escorcia, MC Daza, M Doerr
Journal of Molecular Catalysis B: Enzymatic 108, 21-31, 2014
212014
QM/MM Investigation of the Role of a Second Coordination Shell Arginine in [NiFe]-Hydrogenases
AM Escorcia, M Stein
Frontiers in Chemistry 6, 164, 2018
132018
Molecular determinants of carbocation cyclisation in bacterial monoterpene synthases
NGH Leferink, AM Escorcia, BR Ouwersloot, LO Johanissen, S Hay, ...
ChemBioChem 23 (5), e202100688, 2022
72022
KINETIC RESOLUTION OF (R, S)-METHYL MANDELATE BY IMMOBILIZED LIPASE PREPARATIONS FROM Candida antarctica B
A Escorcia, J Cruz, R Torres, C Ortiz
Vitae 18 (1), 33-41, 2011
5*2011
Simulation-guided engineering enables a functional switch in selinadiene synthase toward hydroxylation
PL Srivastava, ST Johns, A Voice, K Morley, AM Escorcia, DJ Miller, ...
ACS catalysis 14 (14), 11034-11043, 2024
32024
Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins
EW Hernández‐Rodríguez, AM Escorcia, MW van der Kamp, ...
Journal of Computational Chemistry 41 (26), 2278-2295, 2020
12020
Modelado molecular de reacciones enzimáticas
AME Cabrera
Innovaciencia 3 (1 S 1), 5-5, 2015
12015
Activation and Reactivity of the Deubiquitinylase OTU Cezanne-2 from MD Simulations and QM/MM Calculations
M Ilter, AM Escorcia, E Schulze-Niemand, M Naumann, M Stein
Journal of Chemical Information and Modeling, 2025
2025
QM/MM Investigation of the functional role of a second coordination shell arginine residue in [NiFe]-Hydrogenases
M Stein, AM Escorcia Cabrera
54th Symposium on Theoretical Chemistry, 2018
2018
ESTUDIO COMPUTACIONAL DEL EFECTO DE LOS PÉPTIDOS ANTIMICROBIANOS Ib-M SOBRE LA CAPTACIÓN DE HIERRO EN Escherichia coli
JAC Castro, JMF Castillo, AME Cabrera
Revista de la Asociación Colombiana de Ciencias Biológicas 1 (27 S 1), 103, 2015
2015
SIMULACIONES COMBINADAS DE DOCKING Y DINÁMICA MOLECULAR EN EL DISEÑO RACIONAL DE ENZIMAS
AM Escorcia C.
INNOVACIENCIA 1 (1 S 1), 8-9, 2013
2013
Kinetic resolution of amine-alcohols and esters by insolubilized microbial lipases
CO López, O Barbosa, A Escorcia, G Dellamora-Ortiz, R Torres
Journal of Biotechnology, S346-S347, 2008
2008
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Articole 1–17