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ANTOINETTE MACKERELL, PHARMD
PHARMD
Pharmacist
NPI: 1932971249Individual
Specialties, Licenses & Credentials
PharmacistPrimary
Pharmacist
Code: 183500000X
051303298(IL)
Research & Publications (20)
Molecular dynamics simulations of nucleic acid-protein complexes.
PMID 18281210·Curr Opin Struct Biol·2008
6-review
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields.
PMID 19575467·J Comput Chem·2010
8-other
Computational fragment-based binding site identification by ligand competitive saturation.
PMID 19593374·PLoS Comput Biol·2009
8-other
Characterizing structural transitions using localized free energy landscape analysis.
PMID 19436759·PLoS One·2009
8-other
Computational evaluation of protein-small molecule binding.
PMID 19162472·Curr Opin Struct Biol·2009
7-preclinical
Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
PMID 19469484·Biochemistry·2009
7-preclinical
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator.
PMID 19090564·J Comput Chem·2009
8-other
Many-body polarization effects and the membrane dipole potential.
PMID 19199514·J Am Chem Soc·2009
8-other
Inhibition requirements of the human apical sodium-dependent bile acid transporter (hASBT) using aminopiperidine conjugates of glutamyl-bile acids.
PMID 19384469·Pharm Res·2009
7-preclinical
Understanding the dielectric properties of liquid amides from a polarizable force field.
PMID 18302362·J Phys Chem B·2008
8-other
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
PMID 18602402·J Mol Biol·2008
7-preclinical
Using Caenorhabditis elegans as a model organism for evaluating extracellular signal-regulated kinase docking domain inhibitors.
PMID 19105050·J Cell Commun Signal·2008
8-other
Identification of small molecular weight inhibitors of Src homology 2 domain-containing tyrosine phosphatase 2 (SHP-2) via in silico database screening combined with experimental assay.
PMID 19007293·J Med Chem·2008
7-preclinical
Comparison of protein force fields for molecular dynamics simulations.
PMID 18446282·Methods Mol Biol·2008
4-observational
Identification and validation of human DNA ligase inhibitors using computer-aided drug design.
PMID 18630893·J Med Chem·2008
8-other
Rational design of human DNA ligase inhibitors that target cellular DNA replication and repair.
PMID 18451142·Cancer Res·2008
8-other
Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy.
PMID 18456821·Biophys J·2008
8-other
Automated conformational energy fitting for force-field development.
PMID 18458967·J Mol Model·2008
8-other
Additive empirical force field for hexopyranose monosaccharides.
PMID 18470966·J Comput Chem·2008
8-other
Data courtesy of the U.S. National Library of Medicine (NLM). Ltrl is not affiliated with or endorsed by NLM.
Contact & Hours
- Address
- 1551 HUNTINGTON DR
CALUMET CITY, IL 60409 - Phone
- (773) 795-7525
Quick Facts
- NPI
- 1932971249
- Entity Type
- Individual
- Gender
- Female
- Medicare
- Not confirmed
- Specialties
- 1
- Locations
- 1
- Publications
- 20
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