Igor Tvaroška

Ab initio studies of conformational properties of dimethyl diphosphate dianion and its complex with magnesium

Isabelle André, Jeremy P. Carver, Igor Tvaroška, 1999 .

Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions.

Jaroslav Koča, J. Koča, T. Trnka, 2018, Journal of chemical theory and computation.

Theoretical study of stereochemistry of methoxy(methylthio)methane as a model of thioacetal segment in thiosaccharides

Igor Tvaroška, 1984 .

Exploring reaction pathways for O-GlcNAc transferase catalysis. A string method study.

Jaroslav Koča, Petr Kulhánek, Stanislav Kozmon, 2015, The journal of physical chemistry. B.

Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes

Vojtěch Spiwok, Blanka Králová, V. Spiwok, 2008, Journal of molecular modeling.

An attempt to derive the potential function for evaluation of the energy associated with the exo-anomeric effect

I. Tvaroška, Igor Tvaroška, 1984 .

Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 6. The Gauche Effect and Conformations of the Hydroxymethyl and Methoxymethyl Groups

I. Tvaroška, Jeremy P. Carver, Igor Tvaroška, 1997 .

How Mycobacterium tuberculosis Galactofuranosyl Transferase 2 (GlfT2) Generates Alternating β-(1-6) and β-(1-5) Linkages: A QM/MM Molecular Dynamics Study of the Chemical Steps.

Jaroslav Koča, Stanislav Kozmon, J. Koča, 2018, Chemistry.

Carbohydrate-protein interactions: molecular modeling insights.

Serge Pérez, S. Pérez, I. Tvaroška, 2014, Advances in carbohydrate chemistry and biochemistry.