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Liu, Chengyu; Ponder, Jay W; Marshall, Garland R (2014) Helix stability of oligoglycine, oligoalanine, and oligo-?-alanine dodecamers reflected by hydrogen-bond persistence. Proteins 82:3043-61
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Marshall, Garland R (2013) Limiting assumptions in molecular modeling: electrostatics. J Comput Aided Mol Des 27:107-14
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Tang, Yat T; Gao, Rong; Havranek, James J et al. (2012) Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. Chem Biol Drug Des 79:1007-17
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Zheng, Xiange; Wu, Chuanjie; Ponder, Jay W et al. (2012) Molecular dynamics of ?-hairpin models of epigenetic recognition motifs. J Am Chem Soc 134:15970-8
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Marshall, Garland R (2012) Limiting assumptions in structure-based design: binding entropy. J Comput Aided Mol Des 26:3-8
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Wildman, Scott A; Zheng, Xiange; Sept, David et al. (2011) Drug-like leads for steric discrimination between substrate and inhibitors of human acetylcholinesterase. Chem Biol Drug Des 78:495-504
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Taylor, Christina M; Rockweiler, Nicole B; Liu, Cassie et al. (2010) Using ligand-based virtual screening to allosterically stabilize the activated state of a GPCR. Chem Biol Drug Des 75:325-32
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Bourne, Gregory T; Kuster, Daniel J; Marshall, Garland R (2010) Synthesis of the phenylpyridal scaffold as a helical peptide mimetic. Chemistry 16:8439-45
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Van Eps, Ned; Anderson, Lori L; Kisselev, Oleg G et al. (2010) Electron paramagnetic resonance studies of functionally active, nitroxide spin-labeled peptide analogues of the C-terminus of a G-protein alpha subunit. Biochemistry 49:6877-86
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Taylor, Christina M; Barda, Yaniv; Kisselev, Oleg G et al. (2008) Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J Med Chem 51:5297-303
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Showing the most recent 10 out of 26 publications
