Katrina W. Lexa, Ph.D.
Affiliations: | 2011 | University of Michigan, Ann Arbor, Ann Arbor, MI |
Area:
protein-ligand recognition, protein flexibility, and new methods for computer-aided drug discoveryGoogle:
"Katrina Lexa"Mean distance: 8.86 | S | N | B | C | P |
Parents
Sign in to add mentor| Heather A. Carlson | grad student | 2011 | University of Michigan | |
| (Protein Flexibility In Structure-Based Drug Design.) | ||||
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Publications
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| Tran HL, Lexa KW, Julien O, et al. (2017) SAR and molecular mechanics reveal the importance of ring entropy in the biosynthesis and activity of a natural product. Journal of the American Chemical Society |
| Coutsias EA, Lexa KW, Wester MJ, et al. (2016) Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics. Journal of Chemical Theory and Computation |
| Ung PM, Ghanakota P, Graham SE, et al. (2015) Identifying binding hot spots on protein surfaces by mixed-solvent MD: HIV-1 protease as a test case. Biopolymers |
| Lexa KW, Goh GB, Carlson HA. (2014) Parameter choice matters: validating probe parameters for use in mixed-solvent simulations. Journal of Chemical Information and Modeling. 54: 2190-9 |
| Lexa KW, Dolghih E, Jacobson MP. (2014) A structure-based model for predicting serum albumin binding. Plos One. 9: e93323 |
| Lexa KW, Carlson HA. (2013) Improving protocols for protein mapping through proper comparison to crystallography data. Journal of Chemical Information and Modeling. 53: 391-402 |
| Lexa KW, Carlson HA. (2012) Protein flexibility in docking and surface mapping. Quarterly Reviews of Biophysics. 45: 301-43 |
| Dunbar JB, Smith RD, Yang CY, et al. (2011) CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. Journal of Chemical Information and Modeling. 51: 2036-46 |
| Lexa KW, Carlson HA. (2011) Binding to the open conformation of HIV-1 protease. Proteins. 79: 2282-90 |
| Lexa KW, Carlson HA. (2011) Full protein flexibility is essential for proper hot-spot mapping. Journal of the American Chemical Society. 133: 200-2 |