2013

The Cambridge Structural Database (CSD)

C. R. Groom, F. H. Allen, S. Henderson, Ref. Mod. Chem. ,Molec. Sci. Chem. Eng., 2013, , DOI: 10.1016/B978-0-12-409547-2.02529-4

Design, Synthesis, and Biological Evaluation of an Allosteric Inhibitor of HSET that Targets Cancer Cells with Supernumerary Centrosomes

C. A. Watts, F. M. Richards, A. Bender, P. J. Bond, O. Korb, O. Kern, M. Riddick, P. Owen, R. M. Myers, J. Raff, F. Gergely, D. I. Jodrell, S. V. Ley, Chem. Biol., 2013, 20 1399-1410, DOI: 10.1016/j.chembiol.2013.09.012

MicroRNA-specific Argonaute 2 protein inhibitors

M. Schmidt, O. Korb, C. Abell, ACS Chem. Biol., 2013, 8 2122-2126, DOI: 10.1021/cb400246k

Hydrogen bond landscapes, geometry and energetics of squaric acid and its mono- and di-anions: a Cambridge Structural Database, IsoStar and computational study

F. H. Allen, A. J. Cruz-Cabeza, P. A. Wood, D. A. Bardwell, Acta Crystallogr. ,Sect. B:Struct. Sci., 2013, B69 514-523, DOI: 10.1107/S2052519213020277

The role of chloroform and dichloromethane solvent molecules in crystal packing: an interaction propensity study

F. H. Allen, P. A. Wood, P. T. A. Galek, Acta Crystallogr. ,Sect. B:Struct. Sci., 2013, B69 379-388, DOI: 10.1107/S2052519213015078

The versatile role of the ethynyl group in crystal packing: an interaction propensity study

F. H. Allen, P. A. Wood, P. T. A. Galek, Acta Crystallogr. ,Sect. B:Struct. Sci., 2013, B69 281-287, DOI: 10.1107/S2052519213008208

Application of hydrogen bond propensity calculations to an indomethacin-nicotinamide (1:1) co-crystal

Mridul Majumder,Graham Buckton,Clare F. Rawlinson-Malone,Adrian C. Williams,Mark J. Spillman,Elna Pidcock,Kenneth Shankland, CrystEngComm, 2013, 15 4041, DOI: 10.1039/c3ce40367j

Bohr-Sommerfeld quantization condition for Dirac states derived from an Ermakov-type invariant

K.-E. Thylwe, P. McCabe, J. Math. Phys., 2013, 54 052301, DOI: 10.1063/1.4803030

Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules

A.Delori,P.T.A.Galek,E.Pidcock,M.Patni,W.Jones, CrystEngComm, 2013, 15 2916-2928, DOI: 10.1039/C3CE26765B

Sub-pocket Analysis Method for Fragment-Based Drug Discovery

T. Kalliokoski, T. S. G. Olsson, A. Vulpetti, J. Chem. Inf. Model., 2013, 53 131-141, DOI: 10.1021/ci300523r

Discovery of Schaeffer’s acid analogues as new lead structures of Mycobacterium tuberculosis type II dehydroquinase using a rational drug design approach

M. F. Schmidt, O. Korb, N. I. Howard, M. V. B. Dias, T. L. Blundell, ChemMedChem, 2013, 8 54-58, DOI: 10.1002/cmdc.201200508

Evaluation of molecular crystal structures using Full Interaction Maps

P. A. Wood, T. S. G. Olsson, J. C. Cole, S. J. Cottrell, N. Feeder, P. T. A. Galek, C. R. Groom, E. Pidcock, CrystEngComm, 2013, 15 65-72, DOI: 10.1039/C2CE25849H