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The role of axial ligands for the structure and function of chlorophylls

• Authors : Heimdal, Jimmy; Jensen, Kasper; Devarajan, Ajitha

Subjects: Theoretical Chemistry (including Computational Chemistry); density functional theory; axial ligands

• Source: Journal of Biological Inorganic Chemistry; 12(1), pp 49-61 (2007) ; ISSN: 1432-1327

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Small-Molecule Galectin Ligands : Structure-Based Optimisation of Affinity and Selectivity

• Authors : Van Klaveren, Sjors

Subjects: Medicinal Chemistry; Galectins; structure activity relation

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A comparison of the tetrapyrrole cofactors in nature and their tuning by axial ligands

• Authors : Jensen, Kasper P.; Rydberg, Patrik; Heimdal, Jimmy ...

Subjects: Theoretical Chemistry (including Computational Chemistry); QM/MM; coenzyme F430

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Annexin A2 and A5 serve as new ligands for C1Q on apoptotic cells.

• Authors : Martin, Myriam; Leffler, Jonatan; Blom, Anna

Subjects: Other Basic Medicine

• Source: Journal of Biological Chemistry; 287(40), pp 33733-33744 (2012) ; ISSN: 1083-351X

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Tapasin discriminates peptide-human leukocyte antigen-A*02:01 complexes fromed with natural ligands

• Authors : Roder, Gustav; Geironson Ulfsson, Linda; Rasmussen, Michael

Subjects: Immunology in the Medical Area (including Cell and Immunotherapy); Antigen presentation; Antigen processing

• Source: Journal of Biological Chemistry; 286(23), pp 20547-20557 (2011) ; ISSN: 1083-351X

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Functionally Relevant Interplay between the Fe(4)S(4) Cluster and CN(-) Ligands in the Active Site of [FeFe]-Hydrogenases.

• Authors : Bruschi, Maurizio; Greco, Claudio; Bertini, Luca

Subjects: Theoretical Chemistry (including Computational Chemistry)

• Source: Journal of the American Chemical Society; 132(14), pp 4992-4992 (2010) ; ISSN: 1520-5126

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Does DFT-D estimate accurate energies for the binding of ligands to metal complexes?

• Authors : Ryde, Ulf; Mata, Ricardo A; Grimme, Stefan

Subjects: Theoretical Chemistry (including Computational Chemistry)

• Source: Dalton Transactions; 40(Online 19 Aug 2011), pp 11176-11183 (2011) ; ISSN: 1477-9234

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A QM/MM study of the binding of RAPTA ligands to cathepsin B

• Authors : Ciancetta, Antonella; Genheden, Samuel; Ryde, Ulf

Subjects: Theoretical Chemistry (including Computational Chemistry); QM/MM; Ligand-binding affinities

• Source: Journal of Computer-Aided Molecular Design; 25(8), pp 729-742 (2011) ; ISSN: 1573-4951

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Progress in methodology improved reporter gene assays used to identify ligands acting on orphan seven-transmembrane receptors.

• Authors : Kotarsky, Knut; Nilsson, Niclas; Olde, Björn

Subjects: Basic Medicine; Neurosciences

• Source: Pharmacology and Toxicology; 93(6), pp 249-258 (2003) ; ISSN: 1600-0773

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Protonation status of metal-bound ligands can be determined by quantum refinement

• Authors : Nilsson, Kristina; Ryde, Ulf

Subjects: Biological Sciences

• Source: Journal of Inorganic Biochemistry; 98(9), pp 1539-1546 (2004) ; ISSN: 1873-3344

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