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Peter T. A. Galek
Peter T. A. Galek
Senior Software Engineer, Cambridge Crystallographic Data Centre
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Cited by
Cited by
Year
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
1692007
Knowledge-Based Approaches to Co-Crystal Design
PA Wood, N Feeder, M Furlow, P Galek, CR Groom, E Pidcock
CrystEngComm, 2014
1502014
Knowledge-based H-bond prediction to aid experimental polymorph screening
PTA Galek, FH Allen, L Fábián, N Feeder
CrystEngComm 11 (12), 2634-2639, 2009
1322009
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
1312011
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
1292013
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
1242013
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
782012
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
542014
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
522013
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
492012
Truly prospective prediction: inter-and intramolecular hydrogen bonding
PTA Galek, L Fábián, FH Allen
CrystEngComm 12 (7), 2091-2099, 2010
382010
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
322010
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
322004
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
272005
Persistent hydrogen bonding in polymorphic crystal structures
PTA Galek, L Fabian, FH Allen
Acta Crystallographica Section B: Structural Science 65 (1), 68-85, 2009
232009
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
192008
Quantum Monte Carlo studies on small molecules
PTA Galek, NC Handy, WA Lester Jr
Molecular Physics 104 (19), 3069-3085, 2006
152006
The impact of accessible surface on hydrogen bond formation
PA Wood, PTA Galek
CrystEngComm 12 (8), 2485-2491, 2010
122010
Energy matters!
FH Allen, PTA Galek, PA Wood
Crystallography Reviews 16 (3), 169-195, 2010
102010
Novel comparison of crystal packing by moments of inertia
PTA Galek
CrystEngComm 13 (3), 841-849, 2011
82011
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