Knowledge-based model of hydrogen-bonding propensity in organic crystals PTA Galek, L Fabian, WDS Motherwell, FH Allen, N Feeder Acta Crystallographica Section B: Structural Science 63 (5), 768-782, 2007 | 169 | 2007 |
Knowledge-Based Approaches to Co-Crystal Design PA Wood, N Feeder, M Furlow, P Galek, CR Groom, E Pidcock CrystEngComm, 2014 | 150 | 2014 |
Knowledge-based H-bond prediction to aid experimental polymorph screening PTA Galek, FH Allen, L Fábián, N Feeder CrystEngComm 11 (12), 2634-2639, 2009 | 132 | 2009 |
Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction AV Kazantsev, PG Karamertzanis, CS Adjiman, CC Pantelides, SL Price, ... International journal of pharmaceutics 418 (2), 168-178, 2011 | 131 | 2011 |
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, PTA Galek, E Pidcock, M Patni, W Jones CrystEngComm 15 (15), 2916-2928, 2013 | 129 | 2013 |
Evaluation of molecular crystal structures using Full Interaction Maps PA Wood, TSG Olsson, JC Cole, SJ Cottrell, N Feeder, PTA Galek, ... CrystEngComm 15 (1), 65-72, 2013 | 124 | 2013 |
Quantifying Homo‐and Heteromolecular Hydrogen Bonds as a Guide for Adduct Formation A Delori, PTA Galek, E Pidcock, W Jones Chemistry-A European Journal 18 (22), 6835-6846, 2012 | 78 | 2012 |
Hydrogen-bond coordination in organic crystal structures: statistics, predictions and applications PTA Galek, JA Chisholm, E Pidcock, PA Wood Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2014 | 54 | 2014 |
Role of chloroform and dichloromethane solvent molecules in crystal packing: an interaction propensity study FH Allen, PA Wood, PTA Galek Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2013 | 52 | 2013 |
One in half a million: a solid form informatics study of a pharmaceutical crystal structure PTA Galek, E Pidcock, PA Wood, IJ Bruno, CR Groom CrystEngComm 14 (7), 2391-2403, 2012 | 49 | 2012 |
Truly prospective prediction: inter-and intramolecular hydrogen bonding PTA Galek, L Fábián, FH Allen CrystEngComm 12 (7), 2091-2099, 2010 | 38 | 2010 |
Universal prediction of intramolecular hydrogen bonds in organic crystals PTA Galek, L Fabian, FH Allen Acta Crystallographica Section B: Structural Science 66 (2), 237-252, 2010 | 32 | 2010 |
The nodes of Hartree–Fock wavefunctions and their orbitals J Hachmann, PTA Galek, T Yanai, GK Chan, NC Handy Chemical physics letters 392 (1), 55-61, 2004 | 32 | 2004 |
Hartree–Fock orbitals which obey the nuclear cusp condition PTA Galek, NC Handy, AJ Cohen, GK Chan Chemical physics letters 404 (1), 156-163, 2005 | 27 | 2005 |
Persistent hydrogen bonding in polymorphic crystal structures PTA Galek, L Fabian, FH Allen Acta Crystallographica Section B: Structural Science 65 (1), 68-85, 2009 | 23 | 2009 |
Hydrogen-bond motifs in the crystals of hydrophobic amino acids L Fabian, JA Chisholm, PTA Galek, WDS Motherwell, N Feeder Acta Crystallographica Section B: Structural Science 64 (4), 504-514, 2008 | 19 | 2008 |
Quantum Monte Carlo studies on small molecules PTA Galek, NC Handy, WA Lester Jr Molecular Physics 104 (19), 3069-3085, 2006 | 15 | 2006 |
The impact of accessible surface on hydrogen bond formation PA Wood, PTA Galek CrystEngComm 12 (8), 2485-2491, 2010 | 12 | 2010 |
Energy matters! FH Allen, PTA Galek, PA Wood Crystallography Reviews 16 (3), 169-195, 2010 | 10 | 2010 |
Novel comparison of crystal packing by moments of inertia PTA Galek CrystEngComm 13 (3), 841-849, 2011 | 8 | 2011 |