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Molecular Pharmaceutics|February 23, 2008
Predicting intrinsic aqueous solubility by a thermodynamic cycleDavid S Palmer, Antonio Llinàs, Iñaki Morao, et al.Nature Communications|February 6, 2021
Digital navigation of energy-structure-function maps for hydrogen-bonded porous molecular crystalsChengxi Zhao, Linjiang Chen, Yu Che, et al.Chemical Science|February 15, 2020
Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insightsPeng Cui, David P McMahon, Peter R Spackman, et al.The Journal of Physical Chemistry. B|February 24, 2006
Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulationsSaid Hamad, Changman Moon, C Richard A Catlow, et al.The Journal of Physical Chemistry Letters|August 26, 2017
Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical CalculationsJan Gerit Brandenburg, Jason Potticary, Hazel A Sparkes, et al.Faraday Discussions|August 8, 2018
Computational modelling of solvent effects in a prolific solvatomorphic porous organic cageDavid P McMahon, Andrew Stephenson, Samantha Y Chong, et al.Journal of the American Chemical Society|October 16, 2025
Polar Triptycene-Based Nonmetal Organic Frameworks Show Enhanced Hydrogen AdsorptionMegan O'Shaughnessy, Hang Qu, Xue Wang, et al.Journal of Chemical Theory and Computation|May 14, 2021
Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival InformaticsDaniel J Fowles, David S Palmer, Rui Guo, et al.Crystal Growth & Design|February 5, 2013
Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 SolvatesDoris E Braun, Rajni M Bhardwaj, Alastair J Florence, et al.Journal of Pharmaceutical Sciences|July 20, 2006
An automated parallel crystallisation search for predicted crystal structures and packing motifs of carbamazepineAlastair J Florence, Andrea Johnston, Sarah L Price, et al.Pageof 17