Flexible fitting of small-molecules into electron microscopy maps using molecular dynamics simulations with Neural Network Potentials
Vant, John, Lahey, Shae-Lynn J., Jana, Kalyanashis, Shekhar, Mrinal, Sarkar, Daipayan, Munk, Barbara H., Kleinekathöfer, Ulrich, Mittal, Sumit, Rowley, Christopher N., Singharoy, AbhishekLangue:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.9b01167
Date:
March, 2020
Fichier:
PDF, 3.39 MB
english, 2020
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