publication venue for
- Permutationally Invariant Deep Learning Approach to Molecular Fingerprinting with Application to Compound Mixtures. 61:631-640. 2021
- Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response. 56:706-720. 2016
- Quantum Mechanics/Molecular Mechanics Strategies for Docking Pose Refinement: Distinguishing between Binders and Decoys in CytochromecPeroxidase. 51:93-101. 2011
- Using chemical bonds to analyze data retrieved from the inorganic crystal structure database. 29:266-271. 1989
- The inorganic crystal structure data base. 23:66-69. 1983