Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test
Bardwell, David A., Adjiman, Claire S., Arnautova, Yelena A., Bartashevich, Ekaterina, Boerrigter, Stephan X. M., Braun, Doris E., Cruz-Cabeza, Aurora J., Day, Graeme M., Della Valle, Raffaele G., Desiraju, Gautam R., van Eijck, Bouke P., Facelli, Julio C., Ferraro, Marta B., Grillo, Damian, Habgood, Matthew, Hofmann, Detlef W. M., Hofmann, Fridolin, Jose, K. V. Jovan, Karamertzanis, Panagiotis G., Kazantsev, Andrei V., Kendrick, John, Kuleshova, Liudmila N., Leusen, Frank J. J., Maleev, Andrey V., Misquitta, Alston J., Mohamed, Sharmarke, Needs, Richard J., Neumann, Marcus A., Nikylov, Denis, Orendt, Anita M., Pal, Rumpa, Pantelides, Constantinos C., Pickard, Chris J., Price, Louise S., Price, Sarah L., Scheraga, Harold A., van de Streek, Jacco, Thakur, Tejender S., Tiwari, Siddharth, Venuti, Elisabetta, Zhitkov, Ilia K.
Published in Acta crystallographica. Section B, Structural science (01.12.2011)
Published in Acta crystallographica. Section B, Structural science (01.12.2011)
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Journal Article
Investigation of the Milling-Induced Thermal Behavior of Crystalline and Amorphous Griseofulvin
Trasi, Niraj S, Boerrigter, Stephan X. M, Byrn, Stephen Robert
Published in Pharmaceutical research (01.07.2010)
Published in Pharmaceutical research (01.07.2010)
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Journal Article
Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test
Day, Graeme M., Cooper, Timothy G., Cruz-Cabeza, Aurora J., Hejczyk, Katarzyna E., Ammon, Herman L., Boerrigter, Stephan X. M., Tan, Jeffrey S., Della Valle, Raffaele G., Venuti, Elisabetta, Jose, Jovan, Gadre, Shridhar R., Desiraju, Gautam R., Thakur, Tejender S., Van Eijck, Bouke P., Facelli, Julio C., Bazterra, Victor E., Ferraro, Marta B., Hofmann, Detlef W. M., Neumann, Marcus A., Leusen, Frank J. J., Kendrick, John, Price, Sarah L., Misquitta, Alston J., Karamertzanis, Panagiotis G., Welch, Gareth W. A., Scheraga, Harold A., Arnautova, Yelena A., Schmidt, Martin U., Van De Streek, Jacco, Wolf, Alexandra K., Schweizer, Bernd
Published in Acta crystallographica. Section B, Structural science (01.04.2009)
Published in Acta crystallographica. Section B, Structural science (01.04.2009)
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Journal Article
New Metastable Packing Polymorph of Donepezil Grown on Stable Polymorph Substrates
Park, Yeojin, Boerrigter, Stephan X. M, Yeon, Jisun, Lee, Sun Hye, Kang, Sung Kwon, Lee, Eun Hee
Published in Crystal growth & design (04.05.2016)
Published in Crystal growth & design (04.05.2016)
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Journal Article
Organic vapor sorption method of isostructural solvates and polymorph of tenofovir disoproxil fumarate
Lee, Jangmi, Boerrigter, Stephan X.M., Jung, Young Woo, Byun, Youngjoo, Yuk, Soon Hong, Byrn, Stephen R., Lee, Eun Hee
Published in European journal of pharmaceutical sciences (20.11.2013)
Published in European journal of pharmaceutical sciences (20.11.2013)
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Journal Article
Anisotropic crystal deformation measurements determined using powder X-ray diffraction and a new in situ compression stage
Haware, Rahul V., Kim, Paul, Ruffino, Lauren, Nimi, Brian, Fadrowsky, Catherine, Doyle, Michael, Boerrigter, Stephan X.M., Cuitino, Alberto, Morris, Ken
Published in International journal of pharmaceutics (14.10.2011)
Published in International journal of pharmaceutics (14.10.2011)
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Journal Article
Core-shell potential-derived point charges
Tan, Jeffrey S., Boerrigter, Stephan X. M., Scaringe, Raymond P., Morris, Kenneth R.
Published in Journal of computational chemistry (05.04.2012)
Published in Journal of computational chemistry (05.04.2012)
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Journal Article
Application of error-ranked singular value decomposition for the determination of potential-derived atomic-centered point charges
Tan, Jeffrey S, Boerrigter, Stephan X.M, Scaringe, Raymond P, Morris, Kenneth R
Published in Journal of computational chemistry (15.04.2009)
Published in Journal of computational chemistry (15.04.2009)
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Journal Article
Anisotropic crystal deformation measurements determined using powder X-ray diffraction and a new in situ compression stage: A priori Performance Predictions
HAWARE, Rahul V, KIM, Paul, RUFFINO, Lauren, NIMI, Brian, FADROWSKY, Catherine, DOYLE, Michael, BOERRIGTER, Stephan X. M, CUITINO, Alberto, MORRIS, Ken
Published in International journal of pharmaceutics (2011)
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Published in International journal of pharmaceutics (2011)
Journal Article
Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphsElectronic supplementary information (ESI) available: XRPD patterns, DSC and TGA thermograms of 1-4, and COMPASS calculations. CCDC reference numbers 778271-778272. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c0ce00214c
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Journal Article
Formation and Solid-State Characterization of a Salt-Induced Metastable Polymorph of Flufenamic Acid : Facets of polymorphism in crystals
EUN HEE LEE, BOERRIGTER, Stephan X. M, RUMONDOR, Alfred C. F, CHAMARTHY, Sai P, BYRN, Stephen R
Published in Crystal growth & design (2008)
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Published in Crystal growth & design (2008)
Journal Article
CRYSTALLINE FORMS OF C21H22Cl2N4O2
VLAHOVA, Petinka I, SCANGAS, Alexander N, ARONOV, Alexander, KADIYALA, Irina Nikolaevna, ALARGOVA, Rossitza Gueorguieva, LITTLER, Benjamin, KESHAVARZ-SHOKRI, Ali, DECRESCENZO, Gary, WELSCH, Dean, BOERRIGTER, Stephan X. M, STAVROPOULOS, Kathy
Year of Publication 16.11.2023
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Year of Publication 16.11.2023
Patent
Needle Crystal Morphology Explained
Meekes, H., Boerrigter, S.X.M., Hollander, F.F.A., Bennema, P.
Published in Chemical engineering & technology (01.03.2003)
Published in Chemical engineering & technology (01.03.2003)
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Journal Article