Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials. - 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 (J. Chem. Inf. Model., 2020)