Olivier Beyens, Hans De Winter. Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART). J. Cheminformatics, 16(1):23, December 2024. [doi]
@article{BeyensW24, title = {Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART)}, author = {Olivier Beyens and Hans De Winter}, year = {2024}, month = {December}, doi = {10.1186/s13321-024-00819-y}, url = {https://doi.org/10.1186/s13321-024-00819-y}, researchr = {https://researchr.org/publication/BeyensW24}, cites = {0}, citedby = {0}, journal = {J. Cheminformatics}, volume = {16}, number = {1}, pages = {23}, }