Miha Purg

Force Field Independent Metal Parameters Using a Nonbonded Dummy Model

Fernanda Duarte, Paul Bauer, Alexandre Barrozo et al. · The Journal of Physical Chemistry B · 2014 · 172 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17

The evolution of multiple active site configurations in a designed enzyme

Nansook Hong, Dušan Petrović, Richmond Lee et al. · Nature Communications · 2018 · 110 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17

Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

Paul Bauer, Alexandre Barrozo, Miha Purg et al. · SoftwareX · 2018 · 82 citations · Full text

Natural Sciences, Chemistry, Physics +16

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

Alja Prah, Miha Purg, Jernej Stare et al. · The Journal of Physical Chemistry B · 2020 · 77 citations · Full text

Life Sciences, Biochemistry, Pharmacology +17

Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme

Jaka Sočan, Miha Purg, Johan Åqvist · Nature Communications · 2020 · 64 citations · Full text

Life Sciences, Biochemistry, Biophysics +17