Lin Shen

Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks.

Weitao Yang, Weitao Yang, Lin Shen, 2018, Journal of chemical theory and computation.

Multiscale Quantum Mechanics/Molecular Mechanics Simulations with Neural Networks.

Weitao Yang, Lin Shen, Jingheng Wu, 2016, Journal of chemical theory and computation.

Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.

Weitao Yang, Lin Shen, Jingheng Wu, 2017, The Journal of chemical physics.

Accurate Quantum Mechanical/Molecular Mechanical Calculations of Reduction Potentials in Azurin Variants.

Weitao Yang, Xiangqian Hu, Lin Shen, 2018, Journal of chemical theory and computation.

Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning Models.

Weitao Yang, Lin Shen, Pan Zhang, 2018, The journal of physical chemistry. B.

Three Pyrimidine Decarboxylations in the Absence of a Catalyst.

C. A. Lewis, R. Wolfenden, Weitao Yang, 2017, Biochemistry.

Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.

Weitao Yang, Lin Shen, 2016, Journal of chemical theory and computation.

Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations.

Weitao Yang, Lin Shen, Du Zhang, 2016, The journal of physical chemistry letters.