Matthew P. Baumgartner

Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise

David Ryan Koes, Matthew P. Baumgartner, Carlos J. Camacho · Journal of Chemical Information and Modeling · 2013 · 1.1K citations · Full text

Engineering, Machine Learning, Hit Identification +23

Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection

Rosalina Wisastra, Petra A.M. Kok, Nikolaos Eleftheriadis et al. · Bioorganic & Medicinal Chemistry · 2013 · 37 citations · Full text

Peroxidase activation of cytoglobin by anionic phospholipids: Mechanisms and consequences

Jesús Tejero, Alexandr A. Kapralov, Matthew P. Baumgartner et al. · Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids · 2016 · 37 citations · Full text

Biochemistry, Redox Regulator, Natural Sciences +10

Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge

Zhaofeng Ye, Matthew P. Baumgartner, Bentley M. Wingert et al. · Journal of Computer-Aided Molecular Design · 2016 · 26 citations

Virtual Screening, Flexible Target, Machine Learning +9

Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2

Matthew P. Baumgartner, David A. Evans · Journal of Computer-Aided Molecular Design · 2017 · 22 citations

Drug Target, Drug Design, Drug Discovery +7