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Jun Wang
ORCID
Publication Activity (10 Years)
Years Active: 2012-2020
Publications (10 Years): 1
Top Topics
Discrete Fourier Transform
Generalized Belief Propagation
Approximate Inference
Free Energy
Top Venues
J. Comput. Chem.
J. Comput. Aided Mol. Des.
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Publications
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Jun Wang
,
Bo Durbeej
How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?
J. Comput. Chem.
41 (18) (2020)
Kuan-Wei Wu
,
Po-Chin Chen
,
Jun Wang
,
Ying-Chieh Sun
Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation.
J. Comput. Aided Mol. Des.
26 (10) (2012)