Juan C. Alvarez

Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.

Renée L. DesJarlais, George Seibel, Irwin D. Kuntz et al. · Proceedings of the National Academy of Sciences · 1990 · 254 citations · Full text

Crystal Structure, Molecular Biology, Antiviral Drug +18

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Thomas J. Struble, Juan C. Alvarez, Scott P. Brown et al. · Journal of Medicinal Chemistry · 2020 · 236 citations · Full text

ALKS 4230: a novel engineered IL-2 fusion protein with an improved cellular selectivity profile for cancer immunotherapy

Jared E. Lopes, Jan L. Fisher, Heather Flick et al. · Journal for ImmunoTherapy of Cancer · 2020 · 131 citations · Full text

Pharmacophore‐based molecular docking to account for ligand flexibility

Diane Joseph‐McCarthy, Bert E. Thomas, Michael Belmarsh et al. · Proteins Structure Function and Bioinformatics · 2003 · 79 citations

Drug Target, Molecular Biology, Molecular Graphic +16

Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure–Activity Relationship Models?

Robert P. Sheridan, Prabha Karnachi, Matthew Tudor et al. · Journal of Chemical Information and Modeling · 2020 · 61 citations