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pro vyhledávání: '"Veronika Chadimová"'
Autor:
Maria Luisa Verteramo, Majda Misini Ignjatović, Rohit Kumar, Sven Wernersson, Vilhelm Ekberg, Johan Wallerstein, Göran Carlström, Veronika Chadimová, Hakon Leffler, Fredrik Zetterberg, Derek T. Logan, Ulf Ryde, Mikael Akke, Ulf J. Nilsson
Publikováno v:
iScience, Vol 27, Iss 4, Pp 109636- (2024)
Summary: Halogen bonding is increasingly utilized in efforts to achieve high affinity and selectivity of molecules designed to bind proteins, making it paramount to understand the relationship between structure, dynamics, and thermodynamic driving fo
Externí odkaz:
https://doaj.org/article/04a7dad9b6fc435daabaaf102e239b88
Autor:
Samuel Genheden, Amol Thakkar, Veronika Chadimová, Jean-Louis Reymond, Ola Engkvist, Esben Bjerrum
Publikováno v:
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-9 (2020)
Abstract We present the open-source AiZynthFinder software that can be readily used in retrosynthetic planning. The algorithm is based on a Monte Carlo tree search that recursively breaks down a molecule to purchasable precursors. The tree search is
Externí odkaz:
https://doaj.org/article/c0729c46b2e9496fbdac659e5fe0f8ae
Autor:
Robert Pospisil, Jiří Běťák, Veronika Chadimová, Tomáš Bobula, Pavel Klein, Radovan Buffa, Martina Moravcová, Ondřej Židek, Vladimír Velebný
Publikováno v:
Carbohydrate polymers. 125
Hyaluronan (HA) was chemically modified to a photocurable derivative by the acylation with a mixed anhydride of trans-cinnamic acid and characterized by UV, IR and 2D NMR spectroscopy. Photocurable HA was processed to a microfibrous structure by wet-