W Andrzej Sokalski

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 5

Top Topics

Cross Sectional

Molecularly Imprinted

Molecular Dynamics Simulations

Crystal Structure

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Paweł Kędzierski, Martyna Moskal, W Andrzej Sokalski
Catalytic Fields as a Tool to Analyze Enzyme Reaction Mechanism Variants and Reaction Steps. The journal of physical chemistry. B 125 (42) (2021)
Paweł Kędzierski, Maria Zaczkowska, W Andrzej Sokalski
Extreme Catalytic Power of Ketosteroid Isomerase Related to the Reversal of Proton Dislocations in Hydrogen-Bond Network. The journal of physical chemistry. B 124 (18) (2020)
Wiktor Beker, W Andrzej Sokalski
Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields. Journal of chemical theory and computation 16 (5) (2020)
Sławomir J Grabowski, W Andrzej Sokalski
Are Various σ-Hole Bonds Steered by the Same Mechanisms? Chemphyschem : a European journal of chemical physics and physical chemistry 18 (12) (2017)
Wiktor Beker, Marc W van der Kamp, Adrian J Mulholland, W Andrzej Sokalski
Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants. Journal of chemical theory and computation 13 (2) (2017)