Publications by authors named "Christian Baber"

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The challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction.
David Z Huang, J Christian Baber, Sogole Sami Bahmanyar

Expert Opin Drug Discov· September 2021

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In-silico guided discovery of novel CCR9 antagonists.
Xin Zhang, Jason B Cross, Jan Romero, Alexander Heifetz, Eric Humphries, J Christian Baber

J Comput Aided Mol Des· April 2018

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Discovery of indole inhibitors of chemokine receptor 9 (CCR9).
Bhaumik A Pandya, Christian Baber, Audrey Chan, Brian Chamberlain, Haoqun Chandonnet

Bioorg Med Chem Lett· July 2016

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Pyroglutamate and O-linked glycan determine functional production of anti-IL17A and anti-IL22 peptide-antibody bispecific genetic fusions.
Xiaotian Zhong, Elizabeth Kieras, Eric Sousa, Aaron D'Antona, J Christian Baber

J Biol Chem· January 2013

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Automated generation of turn mimetics: proof of concept study for the MC4 receptor.
J Christian Baber, Richard Lowe, John Saunders, Miklos Feher

Bioorg Med Chem· June 2012

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Computation of 3D queries for ROCS based virtual screens.
Gregory J Tawa, J Christian Baber, Christine Humblet

J Comput Aided Mol Des· December 2009

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GARD: a Generally Applicable Replacement for RMSD.
J Christian Baber, David C Thompson, Jason B Cross, Christine Humblet

J Chem Inf Model· August 2009

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Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
Jason B Cross, David C Thompson, Brajesh K Rai, J Christian Baber, Kristi Yi Fan

J Chem Inf Model· June 2009

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The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies.
Miklos Feher, Yinghong Gao, J Christian Baber, William A Shirley, John Saunders

Bioorg Med Chem· January 2008

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Lead optimization via high-throughput molecular docking.
Diane Joseph-McCarthy, J Christian Baber, Eric Feyfant, David C Thompson, Christine Humblet

Curr Opin Drug Discov Devel· May 2007

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Novel 2D fingerprints for ligand-based virtual screening.
Todd Ewing, J Christian Baber, Miklos Feher

J Chem Inf Model· February 2007

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The use of consensus scoring in ligand-based virtual screening.
J Christian Baber, William A Shirley, Yinghong Gao, Miklos Feher

J Chem Inf Model· April 2006

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