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Journal of Medicinal Chemistry|March 8, 2012
Predicting and improving the membrane permeability of peptidic small moleculesSalma B Rafi, Brian R Hearn, Punitha Vedantham, et al.
Plos Computational Biology|February 12, 2014
The free energy profile of tubulin straight-bent conformational changes, with implications for microtubule assembly and drug discoveryLili X Peng, Monica T Hsu, Massimiliano Bonomi, et al.
Journal of the American Chemical Society|August 26, 2014
Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysisShyam Krishnan, Rand M Miller, Boxue Tian, et al.
Biochemistry|September 26, 2022
Cysteine Oxidation in Proteins: Structure, Biophysics, and SimulationDiego Garrido Ruiz, Angelica Sandoval-Perez, Amith Vikram Rangarajan, et al.
Journal of Chemical Theory and Computation|July 23, 2016
Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse KinematicsEvangelos A Coutsias, Katrina W Lexa, Michael J Wester, et al.
The Journal of Cell Biology|September 18, 2013
pH sensing by FAK-His58 regulates focal adhesion remodelingChang-Hoon Choi, Bradley A Webb, Michael S Chimenti, et al.
Structure (London, England : 1993)|August 6, 2013
Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme Dcp2Robin A Aglietti, Stephen N Floor, Chris L McClendon, et al.
Elife|July 26, 2023
Searching for molecular hypoxia sensors among oxygen-dependent enzymesLi Li, Susan Shen, Philip Bickler, et al.
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