References

Applications

C. M. R. Low, J. G. Vinter. (2008) "Rationalizing the Activities of Diverse Cholecystokinin 2 Receptor Antagonists Using Molecular Field Points." J. Med. Chem. 51, 565-573
S. P. Webster, P. Ward, M. Binnie, E. Craigie, K. M. M. McConnell, K. Sooy, A. Vinter, J. R. Secki, B. R. Walker. (2007) "Discovery and biological evaluation of adamantyl amide 11 β-HSD1 inhibitors." Bioorg. Med. Chem. Lett. 17, 2838-2843
M. A. Cejas, W. A. Kinney, C. Chen, G. C. Leo, B. A. Tounge, J. G. Vinter, P. P. Joshi, B. E. Maryanoff. (2007) "Collagen-Related Peptides: Self-Assembly of Short, Single Strands into a Functional Biomaterial of Micrometer Scale." J. Am. Chem. Soc. 129, 2202-2203
T. Cheeseright, M. Mackey, S. Rose, A. Vinter. (2007) "Molecular field technology applied to virtual screening and finding the bioactive conformation." Expert Opin. Drug Discov. 2(1), 131-144
C. M. R. Low, I. M. Buck, T. Cooke, J. R. Cushnir, S. B. Kalindjian, A. Kotecha, M. J. Pether, N. P. Shankley, J. G. Vinter, L. Wright. (2005) "Scaffold Hopping with Molecular Field Points: identification of a CCK2 receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists." J. Med. Chem. 48, 6790-6802

Cresset Technology

Cheeseright, T., Mackey, M., Rose, S. and Vinter, J. G. (2006) "Molecular field extrema as descriptors of biological activity: Definition and validation." J. Chem. Inf. Model.; 46(2), 665-676
C. A. Hunter, C. M. R. Low, C. Rotger, J. G. Vinter and C. Zonta. (2002) ‘Substituent effects on cation-π interactions: A quantitative study’. Proc. Natl. Acad. Sci. 99(8), 4873-4876
G. Chessari, C. A. Hunter, C. M. R. Low, M. J. Packer, J. G. Vinter and C. Zonta. (2002) ' An Evaluation of Force Field Treatments of Aromatic Interactions.' Chem. Eur. J., 8, No 13, 2860-2867
H. Adams, J-L Jimenez Blanco, G. Chessari, C. A. Hunter, C. M. R. Low, J. M. Sanderson and J. G. Vinter. (2001) 'Quantitative determination of intermolecular interactions with fluorinated aromatic rings', Chem. Eur. J., 7 , 3494-3503
O. R. Lozman, R. J. Bushby, J. G. Vinter, (2001) 'Complementary polytopic interactions (CPI) as revealed by molecular modelling using the XED force field.', J. Chem. Soc. Perkin 2, 9, 1446-145
C. A. Hunter, C. M. R. Low, M. J. Packer, S. E. Spey, J. G. Vinter, M. O. Vysotsky and C. Zonta. (2001) 'Noncovalent Assembly of [2]Rotaxane Architectures.' Angew. Chem. Int. Ed. 40, No.14, 2678-2682
M. McDonald, D. J. Dunstone, S. B Kalindjian, I. D. Linney, C. M. R. Low, M. J. Pether, K. I. M. Steel, M. J. Tozer and J. G. Vinter. '2,7-dioxo-2,3,4,5,6,7-hexahydro- 1H-benzo[h][1,4]diazonine as a new template for the design of CCK2 receptor antagonists',(2000) J. Med. Chem. 43, 3518-3529
E. O. Arikainen, N. Boden, R. J. Bushby, O. R. Lozman, J. G. Vinter and A Wood. (2000) ' Complimentary Polytopic Interactions', Angew. Chem. Int. Ed. 39, No.13, 2333-2336
G. Chessari, C.A.Hunter, J.L.Jimenez Blanco, C.M.R.Low and J.G.Vinter (1999), 'Influence of Substituents on Edge-to-Face Aromatic Interactions: Halogens' p 331-334 in NMR In Supramolecular Chemistry, ed. M.Pons, Kluwer Academic Publishers, Netherlands.
C. M. R. Low, J. G. Vinter, S. B. Kalindjian, M. J. Pether. (1997) ' The molecular origins of agonism at histamine H-3-receptors: An investigation of agonist behaviour in halogenated derivatives of proxyfan 3-(1H-imidazol-4-yl)propylphenylmethyl ether.' Br. J. Pharmacol. 122, 433P
S. B. Kalindjian, I. M. Buck, J. M. R. Davies, D. J. Dunstone, M. L. Hudson, C. M. R. Low, I. M. McDonald, M. J. Pether, K. I. M. Steele, M. J. Tozer and J. G. Vinter, (1996) 'Non-Peptide Cholecyctokinin-B/Gastrin Receptor Antagonists Based on Bicyclic, Heteroaromatic Skeletons.' J. Med. Chem., 39, 1806-1815
J. G. Vinter, (1996) 'Extended electron distributions applied to the molecular mechanics of intermolecular interactions. II- Organic Complexes', J Comp-Aid Mol Design, 10, 417-426
J. G. Vinter and K. I. Trollope, (1995) 'Multi-conformational Composite Molecular Fields in the Analysis of Drug Design. (1) Methodology and First Evaluation using 5HT and Histamine Action as examples', J. Comp-Aid. Mol Design, 9, 297-307
R. P. Apaya, B. Lucchese, S. L. Price and J. G. Vinter, (1995) 'The matching of electrostatic extrema: A useful method in drug design? A study of phosphodiesterase III inhibitors', J. Comp-Aid. Mol. Design, 9, 33-43
J. G. Vinter, (1994) 'Extended electron distributions applied to the molecular mechanics of intermolecular interactions', J Comp-Aid Mol Design, 8, 653-668
J. G. Vinter and M. R. Saunders, (1991),'Molecular Modelling approaches to host-guest complexes' in Host-Guest Molecular Interactions: from Chemistry to Biology, Ciba Foundation Symposium No 158. p249-261 (Wiley)

Miscellaneous

T. Halgren (1999) J Comput Chem 20 No7 720-729
K. Gundertofte,T. Liljefors,P-O. Norrby and I. Pettersson (1996) J Comput Chem 17 No4 429-449