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Structural Dynamics and Catalytic Mechanism of ATP13A2 (PARK9) from Simulations
American Chemical Society | 2021| -
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
American Chemical Society | 2006| -
Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis
American Chemical Society | 2021| -
Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state
Online Contents | 2002| -
Correlation functions, mean first passage times, and the Kemeny constant
American Institute of Physics | 2020| -
Towards Accurate Ab Initio QM/MM Calculations of Free-Energy Profiles of Enzymatic Reactions
American Chemical Society | 2006| -
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
American Chemical Society | 2017| -
Catalytic Mechanism of RNA Backbone Cleavage by Ribonuclease H from Quantum Mechanics/Molecular Mechanics Simulations
American Chemical Society | 2011| -
Thermostat Artifacts in Replica Exchange Molecular Dynamics Simulations
American Chemical Society | 2009|
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