%0 Journal Article %1 Carvalho2021 %A Carvalho, HF %A Ferrario, V %A Pleiss, Jürgen %D 2021 %J J Chem Theory Comput %K EXC2075 PN3 PN3-6 selected %P 6570 - 6582 %R https://doi.org/10.1021/acs.jctc.1c00559 %T The molecular mechanism of methanol inhibition in CALB-catalyzed alcoholysis: analyzing molecular dynamics simulations by a Markov state model %V 17

@article{Carvalho2021, added-at = {2025-02-14T11:14:18.000+0100}, author = {Carvalho, HF and Ferrario, V and Pleiss, Jürgen}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/253351fc40960b7ecb8d8ddcdd55b7674/simtechpuma}, doi = {https://doi.org/10.1021/acs.jctc.1c00559}, interhash = {41be571bf4bb1e01cd473e634d211d85}, intrahash = {53351fc40960b7ecb8d8ddcdd55b7674}, itb_ag = {pleiss}, journal = {J Chem Theory Comput}, keywords = {EXC2075 PN3 PN3-6 selected}, orcid = {0000-0003-1045-8202}, pages = {6570 - 6582}, staffids = {2660}, timestamp = {2025-02-14T11:14:18.000+0100}, title = {The molecular mechanism of methanol inhibition in CALB-catalyzed alcoholysis: analyzing molecular dynamics simulations by a Markov state model}, volume = 17, year = 2021 }