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21 . Periodical
Structural Stability Predicts the Binding Mode of Protein–Ligand Complexes
저자
by
Majewski, Maciej
;
Barril, Xavier
.
소스
Journal of Chemical Information and Modeling; March 2020, Vol. 60 Issue: 3 p1644-1651, 8p
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24 . Periodical
Discovery of a novel kinase hinge binder fragment by dynamic undocking
저자
by
Rachman, Moira
;
Bajusz, Dávid
;
Hetényi, Anasztázia
;
Scarpino, Andrea
;
Mer, Balázs
, et al.
소스
MedChemComm; 2020, Vol. 11 Issue: 5 p552-558, 7p
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27 . Academic Journal
DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders.
저자
by
Rachman, Moira
;
Scarpino, Andrea
;
Bajusz, Dávid
;
Pálfy, Gyula
;
Vida, István
, et al.
소스
ChemMedChem; 5/17/2019, Vol. 14 Issue 10, p1011-1021, 11p
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27 . Book
On the Transferability of Fractional Contributions to the Hydration Free Energy of Amino Acids
저자
by
Campanera, Josep M
;
Barril, Xavier
;
Luque, F. Javier
.
소스
8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) : A Conference Selection from Theoretical Chemistry Accounts. 2014, p119-132.
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25 . Academic Journal
4-Amino derivatives of the Hsp90 inhibitor CCT018159
저자
by
Barril, Xavier
;
Beswick, Mandy C.
;
Collier, Adam
;
Drysdale, Martin J.
;
Dymock, Brian W.
, et al.
소스
In
Bioorganic & Medicinal Chemistry Letters
2006 16(9):2543-2548
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27 . Periodical
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
저자
by
Arcon, Juan Pablo
;
Defelipe, Lucas A.
;
Lopez, Elias D.
;
Burastero, Osvaldo
;
Modenutti, Carlos P.
, et al.
소스
Journal of Chemical Information and Modeling; August 2019, Vol. 59 Issue: 8 p3572-3583, 12p
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27 . Academic Journal
Structure-based discovery of a new class of Hsp90 inhibitors
저자
by
Barril, Xavier
;
Brough, Paul
;
Drysdale, Martin
;
Hubbard, Roderick E.
;
Massey, Andrew
, et al.
소스
In
Bioorganic & Medicinal Chemistry Letters
2005 15(23):5187-5191
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27 . Academic Journal
3-(5-chloro-2,4-dihydroxyphenyl)-Pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone
저자
by
Brough, Paul A.
;
Barril, Xavier
;
Beswick, Mandy
;
Dymock, Brian W.
;
Drysdale, Martin J.
, et al.
소스
In
Bioorganic & Medicinal Chemistry Letters
2005 15(23):5197-5201
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27 .
Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
저자
by
Doreen Dobritzsch
;
Daniela Cederfeldt
;
Daniele Tedesco
;
Martin J. Talu
;
Alberto Del Rio
, et al.
소스
ChemBioChem (Internet) 22 (2021). doi:10.1002/cbic.202000736
info:cnr-pdr/source/autori:Talibov, Vladimir O.; Fabini, Edoardo; FitzGerald, Edward A.; Tedesco, Daniele; Cederfeldt, Daniela; Talu, Martin J.; Rachman, Moira M.; Mihalic, Filip; Manoni, Elisabetta; Naldi, Marina; Sanese, Paola; Forte, Giovanna; Lepore Signorile, Martina;
Barril, Xavier
; Simone, Cristiano; Bartolini, Manuela; Dobritzsch, Doreen; Del Rio, Alberto; Danielson, U. Helena/titolo:Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase/doi:10.1002%2Fcbic.202000736/rivista:ChemBioChem (Internet)/anno:2021/pagina_da:/pagina_a:/intervallo_pagine:/volume:22
'ChemBioChem ', vol: 22, pages: 1597-1608 (2021)
Chembiochem
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27 . Academic Journal
Adenine derived inhibitors of the molecular chaperone HSP90—SAR explained through multiple X-ray structures
저자
by
Dymock, Brian
;
Barril, Xavier
;
Beswick, Mandy
;
Collier, Adam
;
Davies, Nicholas
, et al.
소스
In
Bioorganic & Medicinal Chemistry Letters
2004 14(2):325-328
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