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Shae-Lynn J. Lahey

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2020 – today

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2020
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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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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): 6258-6268 (2020)

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