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Jiří Hostaš

University of Calgary · CA
Area of research
Materials Chemistry · Computational Theory and Mathematics
Research interest
Research interests include Machine Learning in Materials Science, Crystallization and Solubility Studies, X-ray Diffraction in Crystallography, and Computational Drug Discovery Methods.
h-index
15
citations
1,051
works
53
NIH funding
primary concept
email

Recent publications

Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: A tutorial review
International Journal of Quantum Chemistry 2018cited by 182position: middledoi
Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box
Nature Communications 2017cited by 68position: middledoi

Grants

No grants ingested yet.

Frequent collaborators

Shideh Ahmadi · Kingston Health Sciences Centre1 papers (2018–2018)Wei Zuo · Ministry of Education of the People's Republic of China1 papers (2017–2017)Radu Custelcean · Oak Ridge National Laboratory1 papers (2017–2017)Dong Yang · Ministry of Education of the People's Republic of China1 papers (2017–2017)Morteza Chehelamirani · Tarbiat Modares University1 papers (2018–2018)Dennis R. Salahub · University of Calgary1 papers (2018–2018)Yaoyu Wang · Ministry of Education of the People's Republic of China1 papers (2017–2017)Chuandong Jia · Oak Ridge National Laboratory1 papers (2017–2017)Lizandra Barrios-Herrera · University of Calgary1 papers (2018–2018)Yanming Chen · Kunming University of Science and Technology1 papers (2017–2017)Robert Glaser · University of Maryland, College Park1 papers (2017–2017)Xiao-Juan Yang · Ministry of Education of the People's Republic of China1 papers (2017–2017)Said Jalife · University of Houston1 papers (2018–2018)Liping Cao · Ministry of Education of the People's Republic of China1 papers (2017–2017)Biao Wu · Shanghai University1 papers (2017–2017)Pavel Hobza · Gilead Sciences (United States)1 papers (2017–2017)