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1 . Academic Journal
Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design
저자
by
Ginex, Tiziana
;
Vázquez, Javier
;
Estarellas, Carolina
;
Luque, F.Javier
.
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Current Opinion in Structural Biology
August 2024 87
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6 . Academic Journal
Structural and dynamic characterization of the hexa-coordinated globin from Spisula solidissima
저자
by
Pesce, Alessandra
;
Barmpidi, Katerina
;
Dewilde, Sylvia
;
Estarellas, Carolina
;
Moens, Luc
, et al.
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In
Journal of Inorganic Biochemistry
September 2023 246
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7 . Academic Journal
Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds
저자
by
Viayna, Antonio
;
Ghashghaei, Ouldouz
;
Vílchez, David
;
Estarellas, Carolina
;
López, Manuel
, et al.
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Fuel
1 December 2021 305
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7 . Academic Journal
Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of β1- and β2-containing AMPK complexes
저자
by
Aledavood, Elnaz
;
Forte, Alessia
;
Estarellas, Carolina
;
Javier Luque, F.
.
소스
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Computational and Structural Biotechnology Journal
2021 19:3394-3406
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6 . Academic Journal
Easy access to (2-imidazolin-4-yl)phosphonates by a microwave assisted multicomponent reaction
저자
by
Abás, Sònia
;
Estarellas, Carolina
;
Javier Luque, F.
;
Escolano, Carmen
.
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Tetrahedron
13 May 2015 71(19):2872-2881
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6 . Academic Journal
Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives
저자
by
Torres, Marta
;
Cañellas, Pablo
;
Estarellas, Carolina
;
García-Raso, Angel
;
Fiol, Juan J.
, et al.
소스
In
Tetrahedron
11 March 2012 68(10):2374-2382
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7 . Academic Journal
A methodological analysis for the assessment of non-covalent π interactions
저자
by
Quiñonero, David
;
Estarellas, Carolina
;
Frontera, Antonio
;
Deyà, Pere M.
.
소스
In
Chemical Physics Letters
18 May 2011 508(1-3):144-148
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6 . Academic Journal
Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation
저자
by
Biswas, Saptarshi
;
Naiya, Subrata
;
Drew, Michael G.B.
;
Estarellas, Carolina
;
Frontera, Antonio
, et al.
소스
In
Inorganica Chimica Acta
30 January 2011 366(1):219-226
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7 . Academic Journal
Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions
저자
by
Estarellas, Carolina
;
Frontera, Antonio
;
Quiñonero, David
;
Deyà, Pere M.
.
소스
In
Computational and Theoretical Chemistry
2011 975(1):106-110
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6 . Academic Journal
Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study
저자
by
Naiya, Subrata
;
Drew, Michael G.B.
;
Estarellas, Carolina
;
Frontera, Antonio
;
Ghosh, Ashutosh
.
소스
In
Inorganica Chimica Acta
2010 363(14):3904-3913
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