Search Results - "Braiuca, P"

Dendritic trafficking of BDNF mRNA is mediated by translin and blocked by the G196A (Val66Met) mutation by Chiaruttini, C, Vicario, A, Li, Z, Baj, G, Braiuca, P, Wu, Y, Lee, F.S, Gardossi, L, Baraban, J.M, Tongiorgi, E

“…Alternatively spliced brain-derived neurotrophic factor (BDNF) transcripts are targeted to distinct cellular compartments in neurons but the mechanisms…”
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BESSICC, a COSMO-RS based tool for in silico solvent screening of biocatalyzed reactions by Braiuca, P., Khaliullin, I., Švedas, V., Knapic, L., Fermeglia, M., Halling, P.J., Gardossi, L.

“…Many enzymatic reactions are near‐equilibrium reactions. This often limits final yield and hence application of biocatalyzed processes in the industrial…”
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In Silico Prediction of Medium Effects on Esterification Equilibrium Using the COSMO‐RS Method by Fermeglia, Maurizio, Braiuca, Paolo, Gardossi, Lucia, Pricl, Sabrina, Halling, Peter J.

“…This paper presents a new approach for predicting solvent effects on esterification reactions of industrial importance in the field of biocatalysis. The…”
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Elucidating the structural and conformational factors responsible for the activity and substrate specificity of alkanesulfonate monooxygenase by Ferrario, V., Braiuca, P., Tessaro, P., Knapic, L., Gruber, C., Pleiss, J., Ebert, C., Eichhorn, E., Gardossi, L.

“…The mechanism and substrate specificity of alkanesulfonate monooxygenase (SsuD) was investigated by combining molecular dynamics simulations, docking, and a…”
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BESSICC, a COSMO-RS based tool for in silico solvent screening of biocatalyzed reactions by Braiuca, P, Khaliullin, I, Svedas, V, Knapic, L, Fermeglia, M, Halling, P J, Gardossi, L

“…Many enzymatic reactions are near-equilibrium reactions. This often limits final yield and hence application of biocatalyzed processes in the industrial…”
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Computational tools for the full exploitation of catalytic potential of biocatalysts by Gardossi, L., Ebert, C., Ferrario, V., Knapic, L., Braiuca, P.

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Computational methods to rationalize experimental strategies in biocatalysis by Braiuca, Paolo, Ebert, Cynthia, Basso, Alessandra, Linda, Paolo, Gardossi, Lucia

“…Computational methods are more and more widely applied in biocatalysis to gain rational guidelines, to orient experimental planning and, ultimately, to avoid…”
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A Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Model for Predicting the Enantioselectivity of Candida antarctica Lipase B by Braiuca, P, Lorena, K, Ferrario, V, Ebert, C, Gardossi, L

“…Computational techniques involving molecular modeling coupled with multivariate statistical analysis were used to evaluate and predict quantitatively the…”
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Inclusion of methano[60]fullerene derivatives in cavitand-based coordination cages by Pirondini, Laura, Bonifazi, Davide, Cantadori, Barbara, Braiuca, Paolo, Campagnolo, Mara, Zorzi, Rita De, Geremia, Silvano, Diederich, François, Dalcanale, Enrico

“…The X-ray study of self-assembled coordination cage 1 , constituted of two tetrapyridyl-substituted resorcin[4]arene cavitands coupled through four…”
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3D-QSAR Applied to the Quantitative Prediction of Penicillin G Amidase Selectivity by Braiuca, Paolo, Boscarol, Luca, Ebert, Cynthia, Linda, Paolo, Gardossi, Lucia

“…A new approach for predicting the selectivity of penicillin G amidase (PGA) – expressed as kcat/KM – is here described. Regression models were constructed…”
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An Innovative Application of the "Flexible" GRID/PCA Computational Method: Study of Differences in Selectivity between PGAs from Escherichia coli and a Providentia rettgeri Mutant by Braiuca, Paolo, Cruciani, Gabriele, Ebert, Cynthia, Gardossi, Lucia, Linda, Paolo

“…The original GRID/PCA technique was adapted for the development of a tool potentially useful for the plan of a research strategy in rational enzyme design. The…”
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Nonswelling Macroporous Synbeads for Improved Efficiency of Solid-Phase Biotransformations by Basso, Alessandra, Braiuca, Paolo, De Martin, Luigi, Ebert, Cynthia, Gardossi, Lucia, Linda, Paolo, Verdelli, Silvia, Tam, Andrea

“…An application of novel, highly porous nonswelling resins (Synbeads) for enzymatic catalysis on solid supports is reported. These new resins combine easy…”
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Homology Model of Penicillin Acylase from Alcaligenes faecalis and In Silico Evaluation of its Selectivity by Braiuca, Paolo, Ebert, Cynthia, Fischer, Lutz, Gardossi, Lucia, Linda, Paolo

“…A three-dimensional model of the relatively unknown penicillin acylase from Alcaligenes faecalis (PA-AF) was built up by means of homology modeling based on…”
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Enzymatic resolution of 4- N-phenylacetylamino-derivatives obtained from multicomponent reactions using PenG amidase and in silico studies by Strübing, Dirk, Neumann, Helfried, Klaus, Stefan, Jacobi von Wangelin, Axel, Gördes, Dirk, Beller, Matthias, Braiuca, Paolo, Ebert, Cynthia, Gardossi, Lucia, Kragl, Udo

“…The three component coupling reaction of aldehydes, phenylacetamide and dienophiles gave the corresponding N-phenylacetamidocyclohexene derivatives in good…”
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Combined Target-Based and Ligand-Based Drug Design Approach as a Tool To Define a Novel 3D-Pharmacophore Model of Human A sub(3) Adenosine Receptor Antagonists: Pyrazolo [4,3-e]1,2,4-triazolo[1,5-c]pyrimidine Derivatives as a Key Study by Moro, S, Braiuca, P, Deflorian, F, Ferrari, C, Pastorin, G, Cacciari, B, Baraldi, P G, Varani, K, Borea, P A, Spalluto, G

“…A combined target-based and ligand-based drug design approach has been carried out to define a novel pharmacophore model of the human A sub(3) receptor…”
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d-Phenylglycine and d-4-hydroxyphenylglycine methyl esters via penicillin G acylase catalysed resolution in organic solvents by Basso, Alessandra, Braiuca, Paolo, De Martin, Luigi, Ebert, Cynthia, Gardossi, Lucia, Linda, Paolo

“…Penicillin G acylase in organic solvents catalyses specifically the acylation of the l-enantiomers of methyl esters of phenylglycine and…”
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GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis by Basso, Alessandra, Braiuca, Paolo, Ebert, Cynthia, Gardossi, Lucia, Linda, Paolo, Benedetti, Fabio

“…Molecular modelling was used to investigate the catalytic site of penicillin G acylase (PGA) by building up a simple enzyme–ligand model able to describe and…”
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Computational analysis of the aminic subsite of PGA explains the influence of amine structure on enantioselectivity by Basso, Alessandra, Braiuca, Paolo, Clementi, Sergio, Ebert, Cynthia, Gardossi, Lucia, Linda, Paolo

“…PGA in toluene catalyses the resolution of aromatic amino acids with high enantiomeric excess (>90%) whereas for aliphatic amino acids the enantiomeric excess…”
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