João M. Damas

A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning

Raimondas Galvelis, Stefan Doerr, João M. Damas et al. · Journal of Chemical Information and Modeling · 2019 · 88 citations

Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: Molecular dynamics studies of HlyB

João M. Damas, A. Sofia F. Oliveira, António M. Baptista et al. · Protein Science · 2011 · 60 citations · Full text

Proteinlipid Interaction, Abc Transporters, Protein Assembly +18

The multicopper oxidase from the archaeon <i>Pyrobaculum aerophilum</i> shows nitrous oxide reductase activity

André Fernandes, João M. Damas, Smilja Todorović et al. · FEBS Journal · 2010 · 55 citations · Full text

Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX

Gesa Volkers, João M. Damas, Gottfried J. Palm et al. · Acta Crystallographica Section D Biological Crystallography · 2013 · 51 citations

High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD

Stefan Doerr, Toni Giorgino, Gerard Martínez-Rosell et al. · Journal of Chemical Theory and Computation · 2017 · 35 citations

Membrane Structure, Proteinlipid Interaction, Engineering +21