Protonation state of proteins in crystals (CpHMD simulations)
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https://zenodo.org/record/13127262
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"What is the protonation state of proteins in crystals: insights from constant pH molecular dynamics simulations"
by Noora Aho*†, Gerrit Groenhof*, and Pavel Buslaev* (manuscript submitted in August 2024)
*Nanoscience Center and Department of Chemistry, University of Jyväskylä, Finland
†Theoretical Physics and Center for Biophysics, Saarland University, Germany
创建时间：
2024-09-23
