Do they make a good match? Molecular dynamics studies on CALB-catalyzed esterification of 3-phenylpropionic and cinnamic acids

Evidence for a high pKa of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach

(2022) Matteo Capone et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Solvent role in the lipase-catalysed esterification of cinnamic acid and derivatives. Optimisation of the biotransformation conditions

(2021) Laura Suárez-Escobedo et al.   TETRAHEDRON

Phenolic Compound Induction in Plant-Microbe and Plant-Insect Interactions: A Meta-Analysis

(2021) Christopher M. Wallis et al.   Frontiers in Plant Science

Stability comparison of four lipases and catalytic mechanism during the synthesis of 1,3‐di‐oleic‐2‐medium chain triacylglycerols in a trace water‐in‐oil system: Experimental analyses and computational simulations

(2021) Bin Peng et al.   JOURNAL OF FOOD BIOCHEMISTRY

Effect of the Substituent and Amino Group Position on the Lipase‐Catalyzed Resolution of γ‐Amino Esters: A Molecular Docking Study Shedding Light on Candida antarctica lipase B Enantioselectivity

(2021) Marina A. Ortega‐Rojas et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Wine Polyphenols and Health: Quantitative Research Literature Analysis

(2021) Massimo Lucarini et al.   Applied Sciences-Basel

Mechanistic investigations in sonoenzymatic synthesis of n-butyl levulinate

(2021) Karan Kumar et al.   PROCESS BIOCHEMISTRY

Recent advances in the enzymatic synthesis of lipophilic antioxidant and antimicrobial compounds

(2021) Bartłomiej Zieniuk et al.   WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY

Synthesis of flavor compound ethyl hydrocinnamate by Yarrowia lipolytica lipases

(2020) Bartłomiej Zieniuk et al.   BIOCATALYSIS AND BIOTRANSFORMATION

Antibacterial Properties of Polyphenols: Characterization and QSAR (Quantitative Structure–Activity Relationship) Models

(2019) Lynda Bouarab-Chibane et al.   Frontiers in Microbiology

Polyphenols: A concise overview on the chemistry, occurrence, and human health

(2019) Alessandra Durazzo et al.   PHYTOTHERAPY RESEARCH

Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution

(2019) Yixin Cen et al.   Nature Communications

Screening of solvents for favoring hydrolytic activity of Candida antarctica Lipase B

(2019) Bartłomiej Zieniuk et al.   BIOPROCESS AND BIOSYSTEMS ENGINEERING

Exploring the Origin of Amidase Substrate Promiscuity in CALB by a Computational Approach.

(2019) Miquel A. Galmés et al.   ACS Catalysis

The molecular basis for lipase stereoselectivity

(2018) Hui Chen et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Candida antarctica Lipase B as Catalyst for Cyclic Esters Synthesis, Their Polymerization and Degradation of Aliphatic Polyesters

(2017) Anna Kundys et al.   JOURNAL OF POLYMERS AND THE ENVIRONMENT

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Natural Cinnamic Acids, Synthetic Derivatives and Hybrids with Antimicrobial Activity

(2014) Juan Guzman   MOLECULES

Advances in lipase-catalyzed esterification reactions

(2013) Panagiota-Yiolanda Stergiou et al.   BIOTECHNOLOGY ADVANCES

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation

(2011) Bidouil Christelle et al.   JOURNAL OF BIOTECHNOLOGY

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation