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Showing 1 - 11 results of 11 for search '"computational chemistry"', query time: 0.29s Refine Results

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1

Thermodynamic analysis of enzyme enantioselectivity: a statistical approach by means of new differential HybridMIF descriptors

by FERRARIO, VALERIO, EBERT, CYNTHIA, GARDOSSI, Lucia, Foscato M.
Published in Biocatalysis and Biotransformation (2013)
Subjects: “...computational chemistry...”

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2

An integrated platform for automatic design and screening of virtual mutants based on 3D-QSAR analysis

by FERRARIO, VALERIO, EBERT, CYNTHIA, GARDOSSI, Lucia, Svendsen A., Besenmatter W.
Published in Journal of Molecular Catalysis B: Enzymatic (2014)
Subjects: “...computational chemistry...”

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3

In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB

by Martin R. Hediger, Luca De Vico, Julie B. Rannes, Christian Jäckel, Werner Besenmatter, Allan Svendsen, Jan H. Jensen
Published in PeerJ (2013)
Subjects: “...Computational Chemistry...”

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4

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

by Galmés, Miquel À, García-Junceda, Eduardo, Świderek, Katarzyna, Moliner, Vicent
Published in ACS Catalysis (2020)
Subjects: “...computational chemistry...”

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5

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

by Galmés, Miquel A., García-Junceda, Eduardo, Świderek, Katarzyna, Moliner, Vicent
Published in ACS Catalysis (2020)
Subjects: “...Computational chemistry...”

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6

In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB

by Hediger, Martin R., Rannes, Julie B., Jäckel, Christian, Besenmatter, Werner, Svendsen, Allan, Jensen, Jan H., DE VICO, LUCA
Published in PeerJ (2013)
Subjects: “...Computational chemistry...”

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7

Lipase-produced hydroxytyrosyl eicosapentaenoate is an excellent antioxidant for the stabilization of omega-3 bulk oils, emulsions and microcapsules

by TO Akanbi, Colin Barrow
Published 2018
Subjects: “...Theoretical and computational chemistry not elsewhere classified...”

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8

A structured methodology for natural deep eutectic solvent selection and formulation for enzymatic reactions

by Kovács, Attila
Published 2023
“... and computational chemistry methods were combined to separately study the interactions between enzyme, substrate...”

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Doctoral or Postdoctoral Thesis
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9

Molecular modelling in pharmacology: selected examples

by C. Parravicini, C. Sensi, I. Eberini
Published 2012
“...Computational chemistry and biology are helpful in understanding protein structure...”

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Conference Object
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10

Continuous Chemistry in Ice Cores:Phosphorus, pH and the Photolysis of Humic Like Substances

by Kjær, Helle Astrid
Published 2014
“.... Further, by computational chemistry hybrid density functional methods (DFT), the four most common...”

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Book
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11

Rol of the near attack conformers during enantioselective acylation of (R,S)-propranolol catalysed by Candida antarctica lipase B

by Barrera Valderrama, Daniel Iván, Doerr, Markus, Daza Espinosa, Martha Cecilia
Published in Revista Colombiana de Biotecnología (2018)

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