基本信息
浏览量:8
职业迁徙
个人简介
Computational science leader. Accomplished computational chemist with a proven track record of successful design of novel drugs. Scientific and technical expertise in the broad area of Computational Science in Pharmaceutical Industry. Performed computational support of multiple projects in small molecule drug design through Hit ID, Lead Generation, Lead Optimization, compound selection for clinical testing and drug development. My computational chemistry contributions were reflected in multiple NDA filings of drugs, which are currently on the market.
Skills and experience in the following applications:
small molecule modeling, SBDD and LBDD; virtual screening; MD/MC and quantum chemistry simulations; combinatorial library design; pharmacophore elucidation and screening; HTS triage; Protein 3D modeling, homology modeling; Cheminformatics; 2D and 3D similarity/diversity analysis; QSAR/QSPR modeling; ADME properties modeling; molecular properties prediction; prediction and interpretation of (SS)NMR, IR, Raman and UV/vis spectra; study of chemical reactivity and reactions; risk analysis of likelihood of a new stable polymorphic form and its potential impact on solubility; rational coformer and counterion selection for poor solubility improvement; rational solvent selection for crystallization and solvate desolvation; prediction of solvent effect on morphology of pharmaceutical crystals.
研究兴趣
论文共 66 篇作者统计合作学者相似作者
按年份排序按引用量排序主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
Michael A. A. Bellucci, Anke Marx, Bing Wang, Liwen Fang,Yunfei Zhou,Chandler Greenwell, Zhuhong Li,Axel Becker,GuangXu Sun,Jan Gerit Brandenburg,Sivakumar Sekharan
Yuriy A. Abramov,Luca Iuzzolino,Yingdi Jin, Gregory York, Chien-Hung Chen,C. Scott Shultz,Zhuocen Yang,Chao Chang,Baimei Shi,Tian Zhou,Chandler Greenwell,Sivakumar Sekharan,
Molecular pharmaceuticsno. 7 (2023): 3380-3392
Harsh S. Shah,Jiuchuang Yuan,Tian Xie,Zhuocen Yang,Chao Chang,Chandler Greenwell,Qun Zeng,GuangXu Sun, Brandon N. Read,Timothy S. Wilson,Henry U. Valle, Shanming Kuang,
Sivakumar Sekharan, Xuetao Liu,Zhuocen Yang, Xiang Liu, Li Deng, Shigang Ruan,Yuriy Abramov, GuangXu Sun,Sizhu Li,Tian Zhou, Baime Shi, Qun Zeng,
加载更多
作者统计
合作学者
合作机构
D-Core
- 合作者
- 学生
- 导师
数据免责声明
页面数据均来自互联网公开来源、合作出版商和通过AI技术自动分析结果,我们不对页面数据的有效性、准确性、正确性、可靠性、完整性和及时性做出任何承诺和保证。若有疑问,可以通过电子邮件方式联系我们:report@aminer.cn