Shae-Lynn J. Lahey

Publication Activity (10 Years)

Years Active: 2020-2020
Publications (10 Years): 2

Top Topics

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

Publications

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) (2020)
Shae-Lynn J. Lahey, Tu Nguyen Thien Phuc, Christopher N. Rowley
Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments. J. Chem. Inf. Model. 60 (12) (2020)