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List of works by Doree Sitkoff

(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibito

scientific article published on 15 April 2008

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

scientific article published in December 1994

Amino(methyl) pyrrolidines as novel scaffolds for factor Xa inhibitors

scientific article published on 21 August 2007

Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.

scientific article

Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors ⬇️

scientific article published on June 28, 2011

Calculation of Alkane to Water Solvation Free Energies Using Continuum Solvent Models

article

Calculation of electrostatic effects at the amino terminus of an alpha helix ⬇️

scientific article published on December 1, 1994

Cannabinoid CB(1) receptor ligand binding and function examined through mutagenesis studies of F200 and S383.

scientific article published on 31 October 2010

Correlating solvation free energies and surface tensions of hydrocarbon solutes.

scientific article published in August 1994

Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors

scientific article

Discovery of Pyrrolidine-Containing GPR40 Agonists: Stereochemistry Effects a Change in Binding Mode.

scientific article published on 23 January 2017

Pharmacologic profile of the Adnectin BMS-962476, a small protein biologic alternative to PCSK9 antibodies for low-density lipoprotein lowering

scientific article

Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties.

scientific article published on 20 November 2013

The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions.

scientific article published on 4 April 2017

Theoretical calculations of the permeability of monensin-cation complexes in model bio-membranes

scientific article published in June 2000

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