Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Zhang, Ivy, Rufa, Dominic A., Pulido, Iván, Henry, Michael M., Rosen, Laura E., Hauser, Kevin, Singh, Sukrit, Chodera, John D.
Published in Journal of chemical theory and computation (08.08.2023)
Published in Journal of chemical theory and computation (08.08.2023)
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Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Zhang, Ivy, Rufa, Dominic A., Pulido, Iván, Henry, Michael M., Rosen, Laura E., Hauser, Kevin, Singh, Sukrit, Chodera, John D.
Published in Journal of chemical theory and computation (23.01.2024)
Published in Journal of chemical theory and computation (23.01.2024)
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Published in Proceedings of the National Academy of Sciences - PNAS (29.09.2020)
Published in Proceedings of the National Academy of Sciences - PNAS (29.09.2020)
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Journal Article
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex
Zhang, Ivy, Rufa, Dominic A, Pulido, Iván, Henry, Michael M, Rosen, Laura E, Hauser, Kevin, Singh, Sukrit, Chodera, John D
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Published in bioRxiv (21.06.2023)
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Published in Science (American Association for the Advancement of Science) (10.11.2023)
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Published in Chemical science (Cambridge) (26.10.2022)
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Published in Proceedings of the National Academy of Sciences - PNAS (14.03.2023)
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Published in bioRxiv (30.07.2020)
Published in bioRxiv (30.07.2020)
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