"Flexible Fitting of Small Molecules into Electron Microscopy Maps Using ..."

John W. Vant et al. (2020)

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DOI: 10.1021/ACS.JCIM.9B01167

access: closed

type: Journal Article

metadata version: 2024-05-07

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  - https://dblp.org/rec/journals/jcisd/VantLJSSMKMRS20
John W. Vant, Shae-Lynn J. Lahey, Kalyanashis Jana, Mrinal Shekhar, Daipayan Sarkar, Barbara H. Munk, Ulrich Kleinekathöfer, Sumit Mittal, Christopher N. Rowley, Abhishek Singharoy:
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials. J. Chem. Inf. Model. 60(5): 2591-2604 (2020)

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