231 Computational solid state pharmaceutics

Monday, November 16, 2020: 8:00 AM - 9:00 AM
Pharmaceutical Discovery, Development and Manufacturing Forum (26) (PreRecorded+)

Description:
This session considers the use of computational approaches and tools to study pharmaceutical solid state (crystalline, amorphous, polymorphs, pseudopolymorphs). Such approaches include crystal structure prediction, physical stability prediction, (co)crystallization/solubilization, morphology, etc.

Sponsor:
Pharmaceutical Discovery, Development and Manufacturing Forum
Chair:
Yuriy Abramov Email: yuriy.abramov@xtalpi.com
Co-Chair:
Eric Dybeck Email: eric.dybeck@Pfizer.com


(231a) Disorder and Entropy in Molecular Crystals
Michael R. Shirts, Nathan Abraham, Eric Dybeck and Marcus Hock


(231b) A Simple Fix Addresses Severe Density Functional Theory Polymorph Ranking Problems in Pharmaceuticals
Gregory Beran


(231c) Virtual Coformer Screening by Cloud-Computing Crystal Structure Predictions
Yuriy Abramov, GuangXu Sun, Yingdi Jin, Sizhu Li, Zhuocen Yang, Baimei Shi and Chao Chang


(231f) Morphology Prediction for Organic Salt Crystals
Yongsheng Zhao, Steven Landis and Michael F. Doherty


(231g) Mitigating Punch Sticking Propensity of Celecoxib By Cocrystallization – an Integrated Computational and Experimental Approach
Chenguang Wang, Shubhajit Paul, David Sun, Sten Nilsson Lill and Changquan Sun
See more of this Group/Topical: Pharmaceutical Discovery, Development and Manufacturing Forum
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