@article{zhang2023identifying,
  title={Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex},
  author={Zhang, Ivy and Rufa, Dominic A and Pulido, Iv{\'a}n and Henry, Michael M and Rosen, Laura E and Hauser, Kevin and Singh, Sukrit and Chodera, John D},
  journal={J. Chem. Theory Comput.},
  pages={19--15},
  year={2023}
}

{"_id":"Wp8zivd9uDMfRXwgR","bibbaseid":"zhang-rufa-pulido-henry-rosen-hauser-singh-chodera-identifyingandovercomingthesamplingchallengesinrelativebindingfreeenergycalculationsofamodelproteinproteincomplex-2023","author_short":["Zhang, I.","Rufa, D. A","Pulido, I.","Henry, M. M","Rosen, L. E","Hauser, K.","Singh, S.","Chodera, J. D"],"bibdata":{"bibtype":"article","type":"article","title":"Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex","author":[{"propositions":[],"lastnames":["Zhang"],"firstnames":["Ivy"],"suffixes":[]},{"propositions":[],"lastnames":["Rufa"],"firstnames":["Dominic","A"],"suffixes":[]},{"propositions":[],"lastnames":["Pulido"],"firstnames":["Iván"],"suffixes":[]},{"propositions":[],"lastnames":["Henry"],"firstnames":["Michael","M"],"suffixes":[]},{"propositions":[],"lastnames":["Rosen"],"firstnames":["Laura","E"],"suffixes":[]},{"propositions":[],"lastnames":["Hauser"],"firstnames":["Kevin"],"suffixes":[]},{"propositions":[],"lastnames":["Singh"],"firstnames":["Sukrit"],"suffixes":[]},{"propositions":[],"lastnames":["Chodera"],"firstnames":["John","D"],"suffixes":[]}],"journal":"J. Chem. Theory Comput.","pages":"19–15","year":"2023","bibtex":"@article{zhang2023identifying,\n title={Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex},\n author={Zhang, Ivy and Rufa, Dominic A and Pulido, Iv{\\'a}n and Henry, Michael M and Rosen, Laura E and Hauser, Kevin and Singh, Sukrit and Chodera, John D},\n journal={J. Chem. Theory Comput.},\n pages={19--15},\n year={2023}\n}\n\n","author_short":["Zhang, I.","Rufa, D. A","Pulido, I.","Henry, M. M","Rosen, L. E","Hauser, K.","Singh, S.","Chodera, J. D"],"key":"zhang2023identifying","id":"zhang2023identifying","bibbaseid":"zhang-rufa-pulido-henry-rosen-hauser-singh-chodera-identifyingandovercomingthesamplingchallengesinrelativebindingfreeenergycalculationsofamodelproteinproteincomplex-2023","role":"author","urls":{},"metadata":{"authorlinks":{}}},"bibtype":"article","biburl":"https://drive.google.com/uc?id=1_bdTBH42V0M_mzB50NomUg9bIqVWQi47&export=download","dataSources":["qbAGeW4MdYaZ8SyFt"],"keywords":[],"search_terms":["identifying","overcoming","sampling","challenges","relative","binding","free","energy","calculations","model","protein","protein","complex","zhang","rufa","pulido","henry","rosen","hauser","singh","chodera"],"title":"Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex","year":2023}