Predicting mechanical properties of crystalline materials through topological analysis

M. J. Bryant, A. G. P. Maloney, R. A. Sykes, CrystEngComm, 2018, 20 2698-2704, DOI: 10.1039/c8ce00454d

Evaluation of analogues of furan-amidines as inhibitors of NQO2

Soraya Alnabulsi, Buthaina Hussein, Elham Santina, Izzeddin Alsalahat, Manikandan Kadirvel, Rachael N.Magwaza, Richard A.Bryce, Carl H.Schwalbe, Alex G.Baldwin, Ilaria Russo, Ian J.Stratford, Sally Freeman, Bioorg. Med. Chem. Lett., 2018, 28 1292-1297, DOI: 10.1016/j.bmcl.2018.03.025

Knowledge-based conformer generation using the Cambridge Structural Database

J. C. Cole, O. Korb, P. McCabe, M. G. Read, R. Taylor, J. Chem. Inf. Model., 2018, 58 615-629, DOI: 10.1021/acs.jcim.7b00697

Note on resonant and non-resonant peaks in electron-atom total scattering cross sections

K.-E. Thylwe, P. McCabe, Commun. Theor. Phys., 2018, 69 28-30, DOI: 10.1088/0253-6102/69/1/28

A chiral di­amine: practical implications of a three-stereoisomer cocrystallization

B.S. Dolinar, K. Samedov, A.G.P. Maloney, R. West, V.N. Khrustalev, I.A. Guzei, Acta Crystallogr. ,Sect. C:Cryst. Struct. Chem., 2018, 74 54, DOI: 10.1107/S2053229617017168

Evaluating competing intermolecular interactions through molecular electrostatic potentials and hydrogen-bond propensities

Bhupinder Sandhu, Ann McLean, Abhijeet S. Sinha, John Desper, Amy A. Sarjeant, Shyam Vyas, Susan M. Reutzel-Edens, Christer B. Aakeröy, Cryst. Growth Des., 2018, 18 466-478, DOI: 10.1021/acs.cgd.7b01458