Highly varied reaction cavities within a single molecular crystal
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Published in CrystEngComm (16.10.2023)
Published in CrystEngComm (16.10.2023)
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Atomic-Resolution 1.3 Å Crystal Structure, Inhibition by Sulfate, and Molecular Dynamics of the Bacterial Enzyme DapE
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Published in Biochemistry (Easton) (30.03.2021)
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k-Means NANI: an improved clustering algorithm for Molecular Dynamics simulations
Chen, Lexin, Roe, Daniel R, Kochert, Matthew, Simmerling, Carlos, Miranda-Quintana, Ramón Alain
Published in bioRxiv (08.03.2024)
Published in bioRxiv (08.03.2024)
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