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Current State-of-the-art In-house and Cloud-Based Applications of Virtual Polymorph Screening of Pharmaceutical Compounds: A Challenging Case of AZD1305Cryst. Growth Des. 2021, 21, 4, 1972–1983
期刊:Crystal Growth & Design
作者:"GuangXu Sun, Xuetao Liu, Yuriy A. Abramov, Sten O. Nilsson Lill, Chao Chang, Virginia Burger, and Anders Broo"
时间:2021-03-01
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Polymorphism of Piroxicam: New Polymorphs by Melt Crystallization and Crystal Structure PredictionCryst. Growth Des. 2020, 20, 12, 7874–7881
期刊:Crystal Growth & Design
作者:Yingdi Jin, Shigang Ruan et al.
时间:2020-11-17
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Rich Polymorphism in nicotinamide revealed by melt crystallization and crystal structure predictionCommunications Chemistry volume 3, Article number: 152 (2020)
期刊:Communications Chemistry
作者:Bing Wang et al.
时间:2020-11-04
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Computational Modeling of the Disulfide Cross-Linking ReactionJ. Phys. Chem. B 2020, 124, 44, 9840–9851
期刊:The Journal of Physical Chemistry B
作者:Michael A. Bellucci, Gianpaolo Gobbo et al.
时间:2020-10-28
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Virtual Coformer Screening by Crystal Structure Predictions: Crucial Role of Crystallinity in Pharmaceutical CocrystallizationJ. Phys. Chem. Lett. 2020, 11, 20, 8832–8838
期刊:The Journnal of Physical Chemistry Letters
作者:Guangxu Sun et al.
时间:2020-09-24
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A fluorophore's electron-deficiency does matter in designing high-performance near-infrared fluorescent probes"Chem. Sci., 2020,11, 11205-11213"
期刊:Chemical Science
作者:Pei-Yu Zhang
时间:2020-09-13