conor parks

D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

Zied Gaieb, conor parks, Michael Chiu et al. · Journal of Computer-Aided Molecular Design · 2019 · 147 citations

Blind Prediction, Engineering, Protein–ligand Poses +11

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

conor parks, Zied Gaieb, Michael Chiu et al. · Journal of Computer-Aided Molecular Design · 2020 · 138 citations · Full text

Blind Prediction, Engineering, Protein–ligand Poses +12

Solubility curves and nucleation rates from molecular dynamics for polymorph prediction – moving beyond lattice energy minimization

conor parks, Andy Koswara, Frank DeVilbiss et al. · Physical Chemistry Chemical Physics · 2017 · 29 citations

Nanocrystal Dissolution Kinetics and Solubility Increase Prediction from Molecular Dynamics: The Case of α-, β-, and γ-Glycine

conor parks, Andy Koswara, Hsien‐Hsin Tung et al. · Molecular Pharmaceutics · 2017 · 26 citations

Nanocrystal Dissolution Kinetics, Engineering, Chemistry +18

Molecular Dynamics Electric Field Crystallization Simulations of Paracetamol Produce a New Polymorph

conor parks, Andy Koswara, Hsien‐Hsin Tung et al. · Crystal Growth & Design · 2017 · 24 citations

Nanomedicine, Engineering, Protein Nanoparticles +14