Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields

por Beker, Wiktor, Sokalski, W. Andrzej
Publicado 2020

International conference: Modeling & Design of Molecular Materials—MDMM 2012 (September 10–14, 2012, Wrocław, Poland)

por Sokalski, W. Andrzej, Burda, Jarosław V.
Publicado 2013

Extreme Catalytic Power of Ketosteroid Isomerase Related to the Reversal of Proton Dislocations in Hydrogen-Bond Network

por Kędzierski, Paweł, Zaczkowska, Maria, Sokalski, W. Andrzej
Publicado 2020

Catalytic Fields as a Tool to Analyze Enzyme Reaction Mechanism Variants and Reaction Steps

por Kędzierski, Paweł, Moskal, Martyna, Sokalski, W. Andrzej
Publicado 2021

International conference: Modeling and Design of Molecular Materials—MDMM 2010 (4–8 July 2010, Wrocław, Poland)

por Sokalski, W. Andrzej, Burda, Jarosław V., Leszczyński, Jerzy
Publicado 2011

Predicting substituent effects on activation energy changes by static catalytic fields

por Chojnacka, Martyna, Feliks, Mikolaj, Beker, Wiktor, Sokalski, W. Andrzej
Publicado 2017

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition

por Jedwabny, Wiktoria, Panecka-Hofman, Joanna, Dyguda-Kazimierowicz, Edyta, Wade, Rebecca C., Sokalski, W. Andrzej
Publicado 2017