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C−C Bond-Forming Lyases in Organic Synthesis

Chemical reviews, 2011-07, Vol.111 (7), p.4346-4403

2011

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Mechanism of the Organocatalyzed Decarboxylative Knoevenagel−Doebner Reaction. A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (50), p.13086-13092

2010

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Homology Models of Human All-Trans Retinoic Acid Metabolizing Enzymes CYP26B1 and CYP26B1 Spliced Variant

Journal of chemical information and modeling, 2012-10, Vol.52 (10), p.2631-2637

2012

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Cloning and functional studies of a splice variant of CYP26B1 expressed in vascular cells

PloS one, 2012-05, Vol.7 (5), p.e36839

2012

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Homology model of the human tRNA splicing ligase RtcB

Proteins, structure, function, and bioinformatics, 2017-11, Vol.85 (11), p.1983-1993

2017

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Structural insights in galectin-1-glycan recognition: Relevance of the glycosidic linkage and the N-acetylation pattern of sugar moieties

Bioorganic & medicinal chemistry, 2021-08, Vol.44, p.116309-116309, Article 116309

2021

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Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations

Proteins, structure, function, and bioinformatics, 2017-04, Vol.85 (4), p.720-730

2017

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Using density functional theory to increase the accuracy of experimental crystal structures: The case of potassium peroxocarbonate

Journal of molecular structure, 2017-10, Vol.1146, p.1-4

2017

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Redox biocatalysis: fundamentals and applications.

1, 2012

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Enzymatic synthesis of non-natural trisaccharides and galactosides; Insights of their interaction with galectins as a function of their structure

Carbohydrate research, 2019-01, Vol.472, p.1-15

2019

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Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A1

Molecules (Basel, Switzerland), 2016-03, Vol.21 (3), p.351-351

2016

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COMPARE analysis of the toxicity of an iminoquinone derivative of the imidazo[5,4-f]benzimidazoles with NAD(P)H:quinone oxidoreductase 1 (NQO1) activity and computational docking of quinones as NQO1 substrates

Bioorganic & medicinal chemistry, 2012-05, Vol.20 (10), p.3223-3232

2012

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Organocatalyzed Decarboxylation of Naturally Occurring Cinnamic Acids: Potential Role in Flavoring Chemicals Production

Open journal of physical chemistry, 2011, Vol.1 (3), p.85-93

2011

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Ligand Selectivity between the ADP-Ribosylating Toxins: An Inverse-Docking Study for Multitarget Drug Discovery

ACS omega, 2017-04, Vol.2 (4), p.1710-1719

2017

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Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase

Journal of the American Chemical Society, 2021-03, Vol.143 (10), p.3794-3807

2021

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Conformational Selection in Biocatalytic Plastic Degradation by PETase

ACS catalysis, 2022-03, Vol.12 (6), p.3397-3409

2022

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Structural Insights into Pseudomonas aeruginosa Exotoxin A–Elongation Factor 2 Interactions: A Molecular Dynamics Study

Journal of chemical information and modeling, 2023-03, Vol.63 (5), p.1578-1591

2023

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Computational study on the partial dechlorination of the pesticide chloropicrin by sulfur species

Theoretical chemistry accounts, 2011-12, Vol.130 (4-6), p.955-963

2011

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Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple templates

Computational biology and chemistry, 2014-04, Vol.49, p.14-22

2014

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QM/MM Studies of Dph5 – A Promiscuous Methyltransferase in the Eukaryotic Biosynthetic Pathway of Diphthamide

Journal of chemical information and modeling, 2018-07, Vol.58 (7), p.1406-1414

2018

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Towards Celiac-safe foods: Decreasing the affinity of transglutaminase 2 for gliadin by addition of ascorbyl palmitate and ZnCl2 as detoxifiers

Scientific reports, 2017-03, Vol.7 (1), p.77-77, Article 77

2017

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Microwave-assisted solvent-free lipase catalyzed transesterification of β-ketoesters

Green chemistry letters and reviews, 2012-12, Vol.5 (4), p.539-543

2012

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Properties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (21), p.10174-10182

2011

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Structures, Properties, and Dynamics of Intermediates in eEF2-Diphthamide Biosynthesis

Journal of chemical information and modeling, 2016-09, Vol.56 (9), p.1776-1786

2016

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Theoretical prediction of binding modes and hot sequences for allopsoralen–DNA interaction

Chemical physics letters, 2007, Vol.450 (1), p.127-131

2007

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C−C Bond-Forming Lyases in Organic Synthesis

Mechanism of the Organocatalyzed Decarboxylative Knoevenagel−Doebner Reaction. A Theoretical Study

Homology Models of Human All-Trans Retinoic Acid Metabolizing Enzymes CYP26B1 and CYP26B1 Spliced Variant

Cloning and functional studies of a splice variant of CYP26B1 expressed in vascular cells

Homology model of the human tRNA splicing ligase RtcB

Structural insights in galectin-1-glycan recognition: Relevance of the glycosidic linkage and the N-acetylation pattern of sugar moieties

Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations

Using density functional theory to increase the accuracy of experimental crystal structures: The case of potassium peroxocarbonate

Redox biocatalysis: fundamentals and applications.

Enzymatic synthesis of non-natural trisaccharides and galactosides; Insights of their interaction with galectins as a function of their structure

Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A1

COMPARE analysis of the toxicity of an iminoquinone derivative of the imidazo[5,4-f]benzimidazoles with NAD(P)H:quinone oxidoreductase 1 (NQO1) activity and computational docking of quinones as NQO1 substrates

Organocatalyzed Decarboxylation of Naturally Occurring Cinnamic Acids: Potential Role in Flavoring Chemicals Production

Ligand Selectivity between the ADP-Ribosylating Toxins: An Inverse-Docking Study for Multitarget Drug Discovery

Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase

Conformational Selection in Biocatalytic Plastic Degradation by PETase

Structural Insights into Pseudomonas aeruginosa Exotoxin A–Elongation Factor 2 Interactions: A Molecular Dynamics Study

Computational study on the partial dechlorination of the pesticide chloropicrin by sulfur species

Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple templates

QM/MM Studies of Dph5 – A Promiscuous Methyltransferase in the Eukaryotic Biosynthetic Pathway of Diphthamide

Towards Celiac-safe foods: Decreasing the affinity of transglutaminase 2 for gliadin by addition of ascorbyl palmitate and ZnCl2 as detoxifiers

Microwave-assisted solvent-free lipase catalyzed transesterification of β-ketoesters

Properties and behaviour of tetracyclic allopsoralen derivatives inside a DPPC lipid bilayer model

Structures, Properties, and Dynamics of Intermediates in eEF2-Diphthamide Biosynthesis

Theoretical prediction of binding modes and hot sequences for allopsoralen–DNA interaction

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