المؤلفون: De Raffele, Daria

المساهمون: University/Department: Universitat Jaume I. Escola de Doctorat

Thesis Advisors: Moliner Ibáñez, Vicente, Martí Forés, Sergio, Castillo Solsona, Raquel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Retro-Aldolases, De novo, Mutation, Free-energy, Ciències naturals, químiques, físiques i matemàtiques

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/673543

المؤلفون: de Raffele, Daria, Ilie, Ioana M.

المساهمون: Stiftung Synapsis - Alzheimer Forschung Schweiz AFS

المصدر: Chemical Communications ; volume 60, issue 6, page 632-645 ; ISSN 1359-7345 1364-548X

الاتاحة: http://dx.doi.org/10.1039/d3cc04630c
http://pubs.rsc.org/en/content/articlepdf/2024/CC/D3CC04630C

المؤلفون: de Raffele, daria, Martí, Sergio, Moliner, Vicent

مصطلحات موضوعية: antibodies, free energy, scaffolds (biology), QM/MM method, catalytic antibodies, protein scaffolds, aldolases

وصف الملف: application/pdf

Relation: Chem. Commun., 2021, 57; DE RAFFELE, Daria; MARTÍ, Sergio; MOLINER, Vicent. A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody. Chemical Communications, 2021, 57.43: 5306-5309.; http://hdl.handle.net/10234/193682; https://doi.org/10.1039/D1CC01081F

الاتاحة: http://hdl.handle.net/10234/193682
https://doi.org/10.1039/D1CC01081F

المؤلفون: De Raffele, Daria, Martí, Sergio, Moliner, Vicent

مصطلحات موضوعية: retro aldolase, de novo enzyme, free energy, mutation, activation interaction energy

وصف الملف: application/pdf

Relation: ACS Catalysis, 2020, vol. 10, no 14; Spanish Ministerio de Ciencia, Innovación y Universidades: Grant PGC2018-094852–B-C21; Generalitat Valenciana: Grant AICO/2019/195; Universitat Jaume I: project UJI·A2019-04; Generalitat Valenciana for a Grisolia PhD grant: ref GRISOLIAP/2016052; De Raffele, D.; Martí, S.; Moliner, V. Understanding the Directed Evolution of De Novo Retro-Aldolases from QM/MM Studies ACS Catalysis 2020 10 (14), 7871-7883 DOI:10.1021/acscatal.0c01165; http://hdl.handle.net/10234/189993; https://doi.org/10.1021/acscatal.0c01165

الاتاحة: http://hdl.handle.net/10234/189993
https://doi.org/10.1021/acscatal.0c01165

المؤلفون: De Raffele, Daria, Martí Forés, Sergio, Moliner, Vicent

المصدر: https://pubs.acs.org/doi/full/10.1021/acscatal.8b04457.

مصطلحات موضوعية: computational biochemistry, de novo enzyme design, free-energy surfaces, molecular dynamics, QM/MM, retro-aldolase

Relation: ACS Catalysis, 2019, vol. 9, no 3; Spanish Ministerio de Economia y Competitividad: CTQ2015-66223-C2; FEDER funds: CTQ2015-66223-C2; Universitat Jaume I: UJI.B2017-31; Generalitat Valenciana; DE RAFFELE, Daria; MARTÍ, Sergio; MOLINER, Vicent. QM/MM Theoretical Studies of a De Novo Retro-Aldolase Design. ACS Catalysis, 2019, vol. 9, no 3, p. 2482–2492; http://hdl.handle.net/10234/182328; http://dx.doi.org/10.1021/acscatal.8b04457

الاتاحة: http://hdl.handle.net/10234/182328
https://doi.org/10.1021/acscatal.8b04457

المؤلفون: De Raffele, Daria, Piazzetta, Paolo, Russo, Nino, Toscano, Marirosa, Adamo, Carlo

المصدر: ChemCatChem ; volume 9, issue 2, page 278-281 ; ISSN 1867-3880 1867-3899

الاتاحة: http://dx.doi.org/10.1002/cctc.201601195
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcctc.201601195
http://onlinelibrary.wiley.com/wol1/doi/10.1002/cctc.201601195/fullpdf

المؤلفون: De Raffele, Daria, Piazzetta, Paolo, Russo, Nino, Toscano, Marirosa, Adamo, Carlo

المصدر: ChemCatChem; 1/23/2017, Vol. 9 Issue 2, p278-281, 4p

مصطلحات موضوعية: STILBENE, ANIONS, DENSITY functional theory, DYES & dyeing, SCINTILLATORS