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Subjects: High-throughput virtual screening; Drug design; Drug discovery
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Source:
Bielska , E , Lucas , X , Czerwoniec , A , Kasprzak , J M , Kaminska , K H & Bujnicki , J M 2011 , ' Virtual screening strategies in drug
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تفاصيل العنوان
Subjects: Algorithm selection; Drug discovery; Meta-learning
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Source:
Olier, I, Sadawi, N, Bickerton, G R, Vanschoren, J, Grosan, C, Soldatova, L & King, R D 2018, 'Meta-QSAR : a large-scale application of meta-learning to drug
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تفاصيل العنوان
Subjects: Journal article
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Source:
Ryan , A , Polycarpou , E , Lack , N A , Evangelopoulos , D , Sieg , C , Halman , A , Bhakta , S , Eleftheriadou , O , McHugh , T D , Keany , S , Lowe , E D , Ballet , R , Abuhammad , A , Jacobs , W R
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تفاصيل العنوان
Subjects: PROTACs; drug design; medicinal chemistry
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Source:
Ciulli, A, O'Connor, S, Chung, C-W, Hartung, I V, Testa, A, Daniels, D & Heitman, L H 2023, 'The 17th EFMC Short Course on Medicinal Chemistry on Small Molecule Protein Degraders', ChemMedChem, vol.
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تفاصيل العنوان
Subjects: /dk/atira/pure/subjectarea/asjc/3000; name=Pharmacology; Toxicology and Pharmaceutics(all)
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Source:
Pizarro , J C , Hills , T , Senisterra , G , Wernimont , A K , Mackenzie , C , Norcross , N R , Ferguson , M A J , Wyatt , P G , Gilbert , I H & Hui , R 2013 , ' Exploring the Trypanosoma brucei Hsp83
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تفاصيل العنوان
Subjects: Chemical modification; Chemical tools; Small molecules
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Source:
Ramachandran, S, Makukhin, N, Haubrich, K, Nagala, M, Forrester, B, Lynch, D M, Casement, R, Testa, A, Bruno, E, Gitto, R & Ciulli, A 2023, 'Structure-based design of a
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تفاصيل العنوان
Subjects: /dk/atira/pure/subjectarea/asjc/1300/1303; name=Biochemistry; /dk/atira/pure/subjectarea/asjc/1300/1312
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Source:
Saravanamuthu , A , Vickers , T J , Bond , C S , Peterson , M R , Hunter , W N & Fairlamb , A H 2004 , ' Two interacting binding sites for quinacrine derivatives in the active site of trypanothione
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تفاصيل العنوان
Subjects: de novo drug design; patents; pharmaceuticals
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Source:
Ghiandoni, G M, Bodkin, M J, Chen, B, Hristozov, D, Wallace, J E A, Webster, J & Gillet, V J 2022, 'RENATE : A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo
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تفاصيل العنوان
Subjects: drug design; macrocycles; protein structures
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Source:
Testa, A, Hughes, S J, Lucas, X, Wright, J E & Ciulli, A 2020, 'Structure-Based Design of a Macrocyclic PROTAC', Angewandte Chemie International Edition, vol. 59, no. 4,
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تفاصيل العنوان
Subjects: Biological activity; Drug design; FoF1-ATP synthase
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Source:
Zacharova , M K , Tulloch , L B , Gould , E R , Fraser , A L , King , E F , Menzies , S K , Smith , T K & Florence , G J 2019 , ' Structure‐based design, synthesis and
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تفاصيل العنوان
