Steven Ramsey

Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening

Lieyang Chen, Anthony Cruz, Steven Ramsey et al. · PLoS ONE · 2019 · 256 citations · Full text

Artificial Intelligence, Geometric Learning, Convolutional Neural Network +18

Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST

Steven Ramsey, Crystal N. Nguyen, Romelia Salomón–Ferrer et al. · Journal of Computational Chemistry · 2016 · 122 citations

A Novel Mitragynine Analog with Low-Efficacy Mu Opioid Receptor Agonism Displays Antinociception with Attenuated Adverse Effects

Soumen Chakraborty, Jeffrey F. DiBerto, Abdelfattah Faouzi et al. · Journal of Medicinal Chemistry · 2021 · 67 citations · Full text

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories

Kamran Haider, Anthony Cruz, Steven Ramsey et al. · Journal of Chemical Theory and Computation · 2017 · 60 citations · Full text

Engineering, Flexible Package, Molecular Biology +18

Hidden Bias in the DUD-E Dataset Leads to Misleading Performance of Deep Learning in Structure-Based Virtual Screening

Lieyang Chen, Anthony Cruz, Steven Ramsey et al. · 2019 · 52 citations · Full text

Artificial Intelligence, Convolutional Neural Network, Engineering +21