Katrina W Lexa

Protein flexibility in docking and surface mapping

Katrina W Lexa, Heather A Carlson, Katrina W. Lexa, 2012, Quarterly Reviews of Biophysics.

Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics.

Matthew P Jacobson, Katrina W Lexa, Sara N Pollock, 2016, Journal of chemical theory and computation.

Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products.

Matthew P Jacobson, Katrina W Lexa, Katrina W. Lexa, 2015, Journal of medicinal chemistry.

Full protein flexibility is essential for proper hot-spot mapping.

Katrina W Lexa, Heather A Carlson, Katrina W. Lexa, 2011, Journal of the American Chemical Society.

Structure-Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product.

Matthew P Jacobson, Katrina W Lexa, Katrina W. Lexa, 2017, Journal of the American Chemical Society.