Virtual Coformer Screening by Crystal Structure Predictions: Crucial Role of Crystallinity in Pharmaceutical Cocrystallization von Sun, Guangxu, Jin, Yingdi, Li, Sizhu, Yang, Zhuocen, Shi, Baimei, Chang, Chao, Abramov, Yuriy A

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Harnessing Cloud Architecture for Crystal Structure Prediction Calculations von Zhang, Peiyu, Wood, Geoffrey P. F, Ma, Jian, Yang, Mingjun, Liu, Yang, Sun, Guangxu, Jiang, Yide A, Hancock, Bruno C, Wen, Shuhao

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A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn von Ju, Ming-Gang, Sun, Guangxu, Zhao, Yi, Liang, WanZhen

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Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction von Sekharan, Sivakumar, Liu, Xuetao, Yang, Zhuocen, Liu, Xiang, Deng, Li, Ruan, Shigang, Abramov, Yuriy, Sun, GuangXu, Li, Sizhu, Zhou, Tian, Shi, Baime, Zeng, Qun, Zeng, Qiao, Chang, Chao, Jin, Yingdi, Shi, Xuekun

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Expression and distribution of three transient receptor potential vanilloid(TRPV) channel proteins in human odontoblast-like cells von Wen, Wen, Que, Kehua, Zang, Chengcheng, Wen, Jing, Sun, Guangxu, Zhao, Zhiying, Li, Yanzhong

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Emerging Landscape of Computational Modeling in Pharmaceutical Development von Abramov, Yuriy A, Sun, Guangxu, Zeng, Qun

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Brain-Computer Interface for Patients with Spinal Cord Injury: A Bibliometric Study von Feng, Jingsheng, Gao, Shutao, Hu, Yukun, Sun, Guangxu, Sheng, Weibin

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Effects of warm-mix asphalt technologies and modifiers on pavement performance of recycled asphalt binders von Li, Qiang, Sun, Guangxu, Lu, Yang, Meng, Yuanpeng, Luo, Sang, Gao, Lei

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Fuel oil corrosion resistance of asphalt mixtures von Li, Qiang, Li, Ke, Zhao, Kang, Sun, Guangxu, Luo, Sang

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Regulatory effect of graphene on growth and carbon/nitrogen metabolism of maize (Zea mays L.) von Wang, Shiya, Wang, Xinyi, Liu, Ying, Sun, Guangxu, Kong, Deyong, Guo, Wei, Sun, Haiyan

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Evaluation of bacterial anti-adhesion and sustained antimicrobial abilities of chlorhexidine gluconate-loaded phase-transited lysozyme nanoparticle suspension on dentine: An ex viv... von Li, Rong, Wu, Jiaxin, Cheng, Yu, Sun, Guangxu, Zhao, Jiange, Zhang, Xu, Yang, Jing, Que, Kehua

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Polymorphism of Piroxicam: New Polymorphs by Melt Crystallization and Crystal Structure Prediction von Yao, Changlin, Guzei, Ilia A, Jin, Yingdi, Ruan, Shigang, Sun, Guangxu, Gui, Yue, Wang, Lei, Yu, Lian

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Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study von Ju, Ming-Gang, Sun, Guangxu, Wang, Jiajun, Meng, Qiangqiang, Liang, WanZhen

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Guiding Lead Optimization for Solubility Improvement with Physics-Based Modeling von Abramov, Yuriy A, Sun, Guangxu, Zeng, Qiao, Zeng, Qun, Yang, Mingjun

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Uncertainty Distribution of Crystal Structure Prediction von Abramov, Yuriy A, Li, Bochen, Chang, Chao, Zeng, Qun, Sun, Guangxu, Gobbo, Gianpaolo

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Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods von Greenwell, Chandler, McKinley, Jessica L., Zhang, Peiyu, Zeng, Qun, Sun, Guangxu, Li, Bochen, Wen, Shuhao, Beran, Gregory J. O.

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Solid-Form Transition Temperature Prediction from a Virtual Polymorph Screening: A Reality Check von Abramov, Yuriy, Sun, Guangxu, Zhou, Yunfei, Yang, Mingjun, Zeng, Qiao, Shen, Zhe

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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 AZD1305 von Sun, GuangXu, Liu, Xuetao, Abramov, Yuriy A, Nilsson Lill, Sten O, Chang, Chao, Burger, Virginia, Broo, Anders

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Green Mechanochemical Strategy for the Discovery and Selective Preparation of Polymorphs of Active Pharmaceutical Ingredient γ‑Aminobutyric Acid (GABA) von Wang, Lingyu, Sun, Guangxu, Zhang, Keke, Yao, Menghui, Jin, Yingdi, Zhang, Peiyu, Wu, Songgu, Gong, Junbo

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Virtual coformer screening by a combined machine learning and physics-based approach von Yuan, Jiuchuang, Liu, Xuetao, Wang, Simin, Chang, Chao, Zeng, Qiao, Song, Zhengtian, Jin, Yingdi, Zeng, Qun, Sun, Guangxu, Ruan, Shigang, Greenwell, Chandler, Abramov, Yuriy A

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