Daniel L. Cheney

New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications:  Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures

Jonathan Mason, Isabelle Morize, Paul R. Menard et al. · Journal of Medicinal Chemistry · 1999 · 376 citations · Full text

Drug Target, Novel Approach, Molecular Biology +19

Macrocycle Conformational Sampling with MacroModel

K. Shawn Watts, Pranav Dalal, Andrew J. Tebben et al. · Journal of Chemical Information and Modeling · 2014 · 186 citations

Engineering, Computational Chemistry, Markov Chain Monte Carlo +18

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

In vitro characterization of benzodiazepine receptor agonists, antagonists, inverse agonists and agonist/antagonists.

Paul L. Wood, Patricia Loo, Albert Braunwalder et al. · Journal of Pharmacology and Experimental Therapeutics · 1984 · 69 citations