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Annual Review of Chemical and Biomolecular Engineering|March 26, 2021
Crystal Structure Prediction Methods for Organic Molecules: State of the ArtDavid H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, et al.Crystal Growth & Design|August 2, 2022
Efficient Screening of Coformers for Active Pharmaceutical Ingredient CocrystallizationIsaac J Sugden, Doris E Braun, David H Bowskill, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|January 28, 2025
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groupsIsaac J Sugden, David H Bowskill, Benjamin I Tan, et al.Chemical Science|February 28, 2022
How many more polymorphs of ROY remain undiscoveredGregory J O Beran, Isaac J Sugden, Chandler Greenwell, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 4, 2019
Efficient Screening for Ternary Molecular Ionic Cocrystals Using a Complementary Mechanosynthesis and Computational Structure Prediction ApproachAbeer F Shunnar, Bhausaheb Dhokale, Durga Prasad Karothu, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methodsLily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.Pageof 1