Showing results (1-10 of 3) with videos related to
Sort By:
Pageof 1
Chemical Science|June 4, 2021
Simulating protein-ligand binding with neural network potentialsShae-Lynn J Lahey, Christopher N RowleyJournal of Chemical Information and Modeling|December 2, 2020
Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug FragmentsShae-Lynn J Lahey, Tu Nguyen Thien Phuc, Christopher N RowleyJournal of Chemical Information and Modeling|March 26, 2020
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network PotentialsJohn W Vant, Shae-Lynn J Lahey, Kalyanashis Jana, et al.Pageof 1