Ivy Zhang

5PUBLICATIONS
26CO-AUTHORS
Statistical mechanics in chemistryComputer aided designBiomolecular modelling and designComputational chemistry
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Publications (5)

|Dec 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Peter Eastman, Raimondas Galvelis, Raúl P Peláez

|Jul 14, 2023
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.

Ivy Zhang, Dominic A Rufa, Iván Pulido

|Mar 22, 2023
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex.

Ivy Zhang, Dominic A Rufa, Iván Pulido

|Nov 09, 2022
End-to-end differentiable construction of molecular mechanics force fields.

Yuanqing Wang, Josh Fass, Benjamin Kaminow

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