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Proteins|May 24, 2011
Binding to the open conformation of HIV-1 proteaseKatrina W Lexa, Heather A CarlsonJournal of Chemical Information and Modeling|January 19, 2013
Improving protocols for protein mapping through proper comparison to crystallography dataKatrina W Lexa, Heather A CarlsonJournal of the American Chemical Society|December 17, 2010
Full protein flexibility is essential for proper hot-spot mappingKatrina W Lexa, Heather A CarlsonQuarterly Reviews of Biophysics|May 10, 2012
Protein flexibility in docking and surface mappingKatrina W Lexa, Heather A CarlsonJournal of Chemical Information and Modeling|July 25, 2014
Parameter choice matters: validating probe parameters for use in mixed-solvent simulationsKatrina W Lexa, Garrett B Goh, Heather A CarlsonProteins|August 16, 2008
Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 proteaseKatrina W Lexa, Kelly L Damm, Jerome J Quintero, et al.Biopolymers|September 20, 2015
Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test casePeter M U Ung, Phani Ghanakota, Sarah E Graham, et al.Plos One|April 3, 2014
A structure-based model for predicting serum albumin bindingKatrina W Lexa, Elena Dolghih, Matthew P JacobsonJournal of Chemical Information and Modeling|July 7, 2011
CSAR benchmark exercise of 2010: selection of the protein-ligand complexesJames B Dunbar, Richard D Smith, Chao-Yie Yang, et al.Current Pharmaceutical Design|June 8, 2002
Protein flexibility is an important component of structure-based drug discoveryHeather A CarlsonPageof 10