Accurate Prediction of Core-Hopping Transformations Using Molecular Dynamics-Derived Conformational Ensembles: Application to the Discovery of Novel P2X3 Antagonists
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DOI: https://doi.org/10.1021/acs.jmedchem.5c02642
文献链接: https://pubs.acs.org/doi/10.1021/acs.jmedchem.5c02642
其他信息:
出版社: American Chemical Society (ACS)
作者: Daniele Pala; Claudio Fiorelli; Paolo Bruno; Charles Baker-Glenn; Hervé Van de Poël; Kim Hirst; Gary Clark; Luca Carlino; Elena Picchi; Barbara Pioselli; Paolo Ronchi; Daniela Pizzirani; Matteo Biagetti
全文下载地址: https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.5c02642
