J Christian Baber
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Explore the profile of J Christian Baber including associated specialties, affiliations and a list of published articles.
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11
Citations
232
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Recent Articles
1.
Huang D, Baber J, Bahmanyar S
Expert Opin Drug Discov
. 2021 Mar;
16(9):1045-1056.
PMID: 33739897
Introduction: Artificial intelligence (AI) has seen a massive resurgence in recent years with wide successes in computer vision, natural language processing, and games. The similar creation of robust and accurate...
2.
Zhang X, Cross J, Romero J, Heifetz A, Humphries E, Hall K, et al.
J Comput Aided Mol Des
. 2018 Mar;
32(4):573-582.
PMID: 29582229
Antagonism of CCR9 is a promising mechanism for treatment of inflammatory bowel disease, including ulcerative colitis and Crohn's disease. There is limited experimental data on CCR9 and its ligands, complicating...
3.
Zhong X, Kieras E, Sousa E, DAntona A, Baber J, He T, et al.
J Biol Chem
. 2012 Nov;
288(2):1409-19.
PMID: 23184956
Protein biosynthesis and extracellular secretion are essential biological processes for therapeutic protein production in mammalian cells, which offer the capacity for correct folding and proper post-translational modifications. In this study,...
4.
Baber J, Lowe R, Saunders J, Feher M
Bioorg Med Chem
. 2012 May;
20(11):3565-74.
PMID: 22551631
An algorithm has been devised for the automatic design of peptide turn mimetics, particularly applicable to peptide-activated GPCRs. The method is based on flexible alignments using a new design paradigm...
5.
Tawa G, Baber J, Humblet C
J Comput Aided Mol Des
. 2009 Oct;
23(12):853-68.
PMID: 19820902
Rapid overlay of chemical structures (ROCS) is a method that aligns molecules based on shape and/or chemical similarity. It is often used in 3D ligand-based virtual screening. Given a query...
6.
Baber J, Thompson D, Cross J, Humblet C
J Chem Inf Model
. 2009 Jul;
49(8):1889-900.
PMID: 19618919
The root-mean-squared deviation (rmsd) is a widely used measure of distance between two aligned objects -- often chemical structures. However, rmsd has a number of known limitations including difficulty of...
7.
Cross J, Thompson D, Rai B, Baber J, Fan K, Hu Y, et al.
J Chem Inf Model
. 2009 May;
49(6):1455-74.
PMID: 19476350
Molecular docking programs are widely used modeling tools for predicting ligand binding modes and structure based virtual screening. In this study, six molecular docking programs (DOCK, FlexX, GLIDE, ICM, PhDOCK,...
8.
Feher M, Gao Y, Baber J, Shirley W, Saunders J
Bioorg Med Chem
. 2007 Oct;
16(1):422-7.
PMID: 17920281
This paper describes the application of de novo design utilizing exclusively ligand information. In the current approach, ligand design criteria, including pharmacophores, similarity and desired properties are applied as part...
9.
Joseph-McCarthy D, Baber J, Feyfant E, Thompson D, Humblet C
Curr Opin Drug Discov Devel
. 2007 Jun;
10(3):264-74.
PMID: 17554852
Structure-based lead optimization approaches are increasingly playing a role in the drug-discovery process. Recent advances in 'high-throughput' molecular docking methods and examples of their successful use in lead optimization are...
10.
Ewing T, Baber J, Feher M
J Chem Inf Model
. 2006 Nov;
46(6):2423-31.
PMID: 17125184
This paper describes the development of a set of new 2D fingerprints for the purposes of virtual screening in a pharmaceutical environment. The new fingerprints are based on established ones:...