Publications by authors named "Matthew Baumgartner"

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Amyloid binding and beyond: a new approach for Alzheimer's disease drug discovery targeting Aβo-PrP binding and downstream pathways.
James D Grayson, Matthew P Baumgartner, Cleide Dos Santos Souza, Samuel J Dawes, Imane Ghafir El Idrissi

Chem Sci· February 2021

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Building Admiral, an Automated Molecular Dynamics and Analysis Platform.
Matthew P Baumgartner, Hongzhou Zhang

ACS Med Chem Lett· November 2020

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Side chain virtual screening of matched molecular pairs: a PDB-wide and ChEMBL-wide analysis.
Matthew P Baumgartner, David A Evans

J Comput Aided Mol Des· September 2020

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Creating a Virtual Assistant for Medicinal Chemistry.
Lewis R Vidler, Matthew P Baumgartner

ACS Med Chem Lett· July 2019

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Case series: Pyramidal cataracts, intact irides and nystagmus from three novel mutations.
Bharesh K Chauhan, Anagha Medsinge, Matthew P Baumgartner, Hannah L Scanga, Smaragda Kamakari

Am J Ophthalmol Case Rep· June 2018

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Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.
Matthew P Baumgartner, David A Evans

J Comput Aided Mol Des· January 2018

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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, Carlos J Camacho

J Comput Aided Mol Des· September 2016

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Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment.
Matthew P Baumgartner, Carlos J Camacho

J Chem Inf Model· June 2016

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Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.
Prerna Grover, Haibin Shi, Matthew Baumgartner, Carlos J Camacho, Thomas E Smithgall

PLoS One· May 2016

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Peroxidase activation of cytoglobin by anionic phospholipids: Mechanisms and consequences.
Jesús Tejero, Alexandr A Kapralov, Matthew P Baumgartner, Courtney E Sparacino-Watkins, Tamil S Anthonymutu

Biochim Biophys Acta· May 2016

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A Discovery Strategy for Selective Inhibitors of c-Src in Complex with the Focal Adhesion Kinase SH3/SH2-binding Region.
Jamie A Moroco, Matthew P Baumgartner, Heather L Rust, Hwan Geun Choi, Wooyoung Hur

Chem Biol Drug Des· August 2015

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Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection.
Rosalina Wisastra, Petra A M Kok, Nikolaos Eleftheriadis, Matthew P Baumgartner, Carlos J Camacho

Bioorg Med Chem· December 2013

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Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise.
David Ryan Koes, Matthew P Baumgartner, Carlos J Camacho

J Chem Inf Model· August 2013

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