Steven A. Spronk

Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling

Dan Sindhikara, Steven A. Spronk, Tyler Day et al. · Journal of Chemical Information and Modeling · 2017 · 110 citations

Crystal Structure, Structural Bioinformatics, Biomolecular Structure Prediction +19

AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

Zachary L. Glick, Derek P. Metcalf, Alexios Koutsoukas et al. · The Journal of Chemical Physics · 2020 · 71 citations · Full text

Conformationally Constrained <i>ortho-</i>Anilino Diaryl Ureas: Discovery of 1-(2-(1′-Neopentylspiro[indoline-3,4′-piperidine]-1-yl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea, a Potent, Selective, and Bioavailable P2Y₁ Antagonist

Jennifer X. Qiao, Tammy C. Wang, Réjean Ruel et al. · Journal of Medicinal Chemistry · 2013 · 69 citations · Full text

Thrombosis, Medicinal Chemistry, Biochemistry +13

Voltage-Dependent Hydration and Conduction Properties of the Hydrophobic Pore of the Mechanosensitive Channel of Small Conductance

Steven A. Spronk, Donald E. Elmore, Dennis A. Dougherty · Biophysical Journal · 2006 · 61 citations · Full text

Small Conductance, Pore Structure, Engineering +11

The Electronic Structure and Vibrational Spectrum of <i>trans</i>-HNOO

Roger L. DeKock, Michael J. McGuire, Piotr Piecuch et al. · The Journal of Physical Chemistry A · 2004 · 40 citations

Cluster Science, Vibronic Interaction, Engineering +13