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particle mesh Ewald
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publication
Effects of Water Deuteration on Thermodynamic and Structural Properties of Proteins and Biomembranes
2023 |
Central Library of Charles University
publication
Selective Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. Binding Mode Insights from Molecular Dynamics Simulations
2012 |
First Faculty of Medicine
publication
Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria?
2019 |
Faculty of Science, Central Library of Charles University
publication
Molecular dynamics simulation of time-resolved fluorescence anisotropy decays from labeled polyelectrolyte chains
2006 |
Faculty of Science