We're hiring! 4-year fully funded FPI PhD position in sustainable organic synthesis (redox-active carbene chemistry and photoorganocatalysis) ICMol in Valencia! Call will be live very soon. Interested? Contact information at icmol.es/soc/ Pls spread the word!

Discovery, Structure, and Mechanism of the (R, S)-Norcoclaurine Synthase for the Chiral Synthesis of Benzylisoquinoline Alkaloids | ACS Catalysis ACS Publications ACS Catalysis #compchem #biocatalysis pubs.acs.org/doi/10.1021/ac…

A lot of fun in October

Check out our fresh paper concerning the mechanistic study of a biological Fries rearrangement reaction. Wiley Chemistry ChemistryOpen Stockholm University #compchem #biocatalysis #enzyme …mistry-europe.onlinelibrary.wiley.com/doi/full/10.10…

Check out our collaborated paper with Prof. Cangsong Liao on the enzymatic synthesis of noncanonical α‐amino acids containing γ‐tertiary alcohols by using the PLP-dependent ApUstD. Wiley Chemistry Angewandte Chemie #compchem #biocatalysis #enzyme onlinelibrary.wiley.com/doi/abs/10.100…

A collaborated but pure theoretical paper on the mechanism of the C–C bond cleavage by an atypical nonheme iron-dependent dioxygenase BTG13 ACS Publications ACS Catalysis #compchem #enzyme #biocatalysis pubs.acs.org/doi/10.1021/ac…

Computational Study of the Fries Rearrangement Catalyzed by Acyltransferase from Pseudomonas protegens (Xiang Sheng xish2046, Fahmi Himo and co-workers) #OpenAccess onlinelibrary.wiley.com/doi/10.1002/op…

Check out our fresh collaborated paper titled "Reaction engineering blocks ether cleavage for synthesizing chiral cyclic hemiacetals catalyzed by UPO" published Nature Communications #Compchem #Biocatalysis #Enzyme disq.us/t/4mkvoro

Quantum chemical calculations probe the high stereospecificity and yield displayed by norcoclaurine synthase in catalyzing the Pictet-Spengler reaction of dopamine with chiral aldehydes, by Xiang Sheng and co. nature.com/articles/s4200…

A fresh paper on modeling enantioselective reactions by indole monooxygenase (led by Cherrie) is now on PCCP RSC_CICAG. Congratulations! Feel proud to contribute to the "themed collection: PCCP 2023 Emerging Investigators" pubs.rsc.org/en/content/art… Fabio Zuccotto @biocatalysis

Fresh work collaborated with Prof. Tan and Prof. Zhu from Beijing University of Chemical Technology： “Computational redesign of an enoate reductase for the in vivo production of adipic acid from muconic acid” Chem Catalysis #Compchem #Biocatalysis sciencedirect.com/science/articl…

Fresh paper on the Reaction Mechanism and Regioselectivity of Uridine Diphosphate Glucosyltransferase RrUGT3 published in Catalysis Sci & Tech #compchem #biocatalysis pubs.rsc.org/en/content/art…

Here are some clues as to why unspecific peroxygenase (UPO) can enable the formation of azoxy compounds, but P450 enzymes cannot. #compchem #biocatalysis Check out the collaborative paper just published on Nature Communications disq.us/t/4qw3m72

Our perspective paper titled "Quantum chemical studies of the reaction mechanisms of enzymatic CO2 conversion" - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art…

Computational Modeling of the Enzymatic Achmatowicz Rearrangement by Heme-Dependent Chloroperoxidase: Reaction Mechanism, Enantiopreference, Regioselectivity, and Substrate Specificity | Journal of Chemical Information and Modeling pubs.acs.org/doi/full/10.10…

#ChemPhysChem Mechanistic study of 2,5-furandicarboxylic acid decarboxylase published in the special issue "Chemistry Talents" #CompChem #Biocatalysis Xiang Sheng • onlinelibrary.wiley.com/doi/10.1002/cp…

Please RT! I have 2 postdoctoral positions in my lab Biomedical Research Foundation Academy of Athens to work on MD sims for protein allostery, cryptic pocket identification, CADD/FEP. Knowledge in coarse-grained MD is a plus. More info: linkedin.com/hiring/jobs/42…. Send me an email with your CV if interested!

Check out the fresh paper with Johan Åqvist from Uppsala universitet published on ACS Catalysis titled "Computational Design of Highly Efficient Cold-Adapted Enzymes with Elevated Temperature Optima" #compchem #biocatalysis pubs.acs.org/doi/10.1021/ac…

See you Oslo, see you WATOC 2025!

Biotrans2025