Publications of F. P. Buelens

Buelens, F. P.; Leonov, H.; de Groot, B. L.; Grubmüller, H.: ATP-magnesium coordination: Protein structure-based force field evaluation and corrections. Journal of Chemical Theory and Computation 17 (3), pp. 1922 - 1930 (2021)

Gajewski, J.; Buelens, F. P.; Serdjukow, S.; Janßen, M.; Cortina, N.; Grubmüller, H.; Grininger, M.: Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 13 (4), pp. 363 - 365 (2017)

Buelens, F. P.; Grubmüller, H.: Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry 33 (1), pp. 25 - 33 (2012)

Seeliger, D.; Buelens, F. P.; Götte, M.; de Groot, B. L.; Grubmüller, H.: Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 39 (19), pp. 8281 - 8290 (2011)

Buelens, F. P.; Leonov, H.; de Groot, B.; Grubmüller, H.: ATP as a fuel molecule: Evolutionary selection of magnesium-ATP interaction mode facilitates lossless chemomechanical coupling for ATPases. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal (Suppl), 3 Ed., p. 680a - 680a (2018)

Gajewski, J.; Rittner, A.; Paithankar, K.; Fischer, M.; Buelens, F. P.; Grubmüller, H.; Grininger, M.: Engineering fatty acid synthases (FAS) for custom compound synthesis. 42nd Congress of the Federation-of-European-Biochemical-Societies (FEBS) on From Molecules to Cells and Back, Jerusalem, Israel, September 10, 2017 - September 14, 2017. FEBS Journal 284 (Suppl 1), pp. 9 - 10 (2017)

Buelens, F. P.; Grubmüller, H.: Atomistic and reaction- kinetic modelling for engineering of fatty acid synthase. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 318A - 318A (2016)

Buelens, F. P.; Grininger, M.; Grubmüller, H.: Reaction control in fungal fatty acid synthase. 57th Annual Meeting of the Biophysical-Society, Philadelphia/PA, February 02, 2013 - February 06, 2013. Biophysical Journal 104 (Supplement 1), 2 Ed., p. 666A - 666A (2013)