The evolution of drug design at Merck Research Laboratories

Toward structure-based predictive tools for the selection of chiral stationary phases for the chromatographic separation of enantiomers

(2016) Robert Sheridan et al.   JOURNAL OF CHROMATOGRAPHY A

Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters

(2016) Keith W. Bentley et al.   JOURNAL OF ORGANIC CHEMISTRY

eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk

(2015) Robert P. Sheridan et al.   Journal of Chemical Information and Modeling

Capture of Reactive Monophosphine-Ligated Palladium(0) Intermediates by Mass Spectrometry

(2015) Qiuling Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A data-intensive approach to mechanistic elucidation applied to chiral anion catalysis

(2015) A. Milo et al.   SCIENCE

Systematic Approach to Conformational Sampling for Assigning Absolute Configuration Using Vibrational Circular Dichroism

(2014) Edward C. Sherer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Interrogating selectivity in catalysis using molecular vibrations

(2014) Anat Milo et al.   NATURE

Imine-based chiroptical sensing for analysis of chiral amines: from method design to synthetic application

(2014) Leo A. Joyce et al.   Chemical Science

Chromatographic Separation and Assignment of Absolute Configuration of Hydroxywarfarin Isomers

(2013) Erik L. Regalado et al.   CHIRALITY

Effects of Charge Separation, Effective Concentration, and Aggregate Formation on the Phase Transfer Catalyzed Alkylation of Phenol

(2012) Scott E. Denmark et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multidimensional steric parameters in the analysis of asymmetric catalytic reactions

(2012) Kaid C. Harper et al.   Nature Chemistry

Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor

(2012) Steven Harper et al.   ACS Medicinal Chemistry Letters

To measure is to know: an approach to CADD performance metrics

(2011) Deborah Loughney et al.   DRUG DISCOVERY TODAY

A Systematic Investigation of Quaternary Ammonium Ions as Asymmetric Phase-Transfer Catalysts. Application of Quantitative Structure Activity/Selectivity Relationships

(2011) Scott E. Denmark et al.   JOURNAL OF ORGANIC CHEMISTRY

Discovery of Vaniprevir (MK-7009), a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor

(2010) John A. McCauley et al.   JOURNAL OF MEDICINAL CHEMISTRY

GPU-accelerated molecular modeling coming of age

(2010) John E. Stone et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Biocatalytic Asymmetric Synthesis of Chiral Amines from Ketones Applied to Sitagliptin Manufacture

(2010) C. K. Savile et al.   SCIENCE

An early history of the molecular modeling industry

(2008) Allen B. Richon   DRUG DISCOVERY TODAY