Published in J Org Chem on December 24, 2004
Development of small molecules designed to modulate protein-protein interactions. J Comput Aided Mol Des (2006) 0.97
Phage display and peptide mapping of an immunoglobulin light chain fibril-related conformational epitope. Biochemistry (2007) 0.91
A Single Stereodynamic Center Modulates the Rate of Self-Assembly in a Biomolecular System. Angew Chem Int Ed Engl (2015) 0.75
The biology and future prospects of antivirulence therapies. Nat Rev Microbiol (2008) 3.83
A crowdsourcing evaluation of the NIH chemical probes. Nat Chem Biol (2009) 2.29
Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors. Proteins (2010) 1.27
Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. Chem Biol Drug Des (2012) 0.98
Modeling flexible loops in the dark-adapted and activated states of rhodopsin, a prototypical G-protein-coupled receptor. Biophys J (2005) 0.97
Development of small molecules designed to modulate protein-protein interactions. J Comput Aided Mol Des (2006) 0.97
Protein recognition motifs: design of peptidomimetics of helix surfaces. Biopolymers (2007) 0.95
Conformational manifold of alpha-aminoisobutyric acid (Aib) containing alanine-based tripeptides in aqueous solution explored by vibrational spectroscopy, electronic circular dichroism spectroscopy, and molecular dynamics simulations. J Am Chem Soc (2007) 0.92
Electron paramagnetic resonance studies of functionally active, nitroxide spin-labeled peptide analogues of the C-terminus of a G-protein alpha subunit. Biochemistry (2010) 0.91
Virtual screening for lead discovery. Methods Mol Biol (2011) 0.91
Impact of cis-proline analogs on peptide conformation. Biopolymers (2006) 0.91
A virtual library of constrained cyclic tetrapeptides that mimics all four side-chain orientations for over half the reverse turns in the protein data bank. J Comput Aided Mol Des (2008) 0.90
Modeling molecular mechanisms of binding of the anaphylatoxin C5a to the C5a receptor. Biochemistry (2008) 0.89
Relative strength of cation-pi vs salt-bridge interactions: the Gtalpha(340-350) peptide/rhodopsin system. J Am Chem Soc (2006) 0.88
PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. J Chem Inf Model (2011) 0.87
G-protein alpha and beta-gamma subunits interact with conformationally distinct signaling states of rhodopsin. Vision Res (2006) 0.86
Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J Med Chem (2008) 0.85
Design, synthesis, and metal binding of novel Pseudo- oligopeptides containing two phosphinic acid groups. Biopolymers (2008) 0.85
Insight into the binding mode for cyclopentapeptide antagonists of the CXCR4 receptor. Chem Biol Drug Des (2006) 0.85
Three-dimensional model for meta-II rhodopsin, an activated G-protein-coupled receptor. Biochemistry (2003) 0.85
Interactions between conserved residues in transmembrane helices 2 and 7 during angiotensin AT1 receptor activation. Chem Biol Drug Des (2006) 0.84
Motion of carboxyl terminus of Galpha is restricted upon G protein activation. A solution NMR study using semisynthetic Galpha subunits. J Biol Chem (2005) 0.84
Conformationally restricted TRH analogues: constraining the pyroglutamate region. Bioorg Med Chem (2002) 0.84
Hydroxamate-based iron chelators: combinatorial syntheses of desferrioxamine B analogues and evaluation of binding affinities. J Comb Chem (2004) 0.83
Molecular dynamics of β-hairpin models of epigenetic recognition motifs. J Am Chem Soc (2012) 0.82
Privileged scaffolds targeting reverse-turn and helix recognition. Expert Opin Ther Targets (2008) 0.82
Modeling of the complex between transducin and photoactivated rhodopsin, a prototypical G-protein-coupled receptor. Biochemistry (2007) 0.82
Synthesis of the phenylpyridal scaffold as a helical peptide mimetic. Chemistry (2010) 0.81
Drug-like leads for steric discrimination between substrate and inhibitors of human acetylcholinesterase. Chem Biol Drug Des (2011) 0.81
Engineering cyclic tetrapeptides containing chimeric amino acids as preferred reverse-turn scaffolds. J Med Chem (2006) 0.81
Do benzodiazepines mimic reverse-turn structures? J Comput Aided Mol Des (2006) 0.81
Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. J Chem Inf Model (2012) 0.81
Novel trihydroxamate-containing peptides: design, synthesis, and metal coordination. Biopolymers (2006) 0.80
Expressed protein ligation to study protein interactions: semi-synthesis of the G-protein alpha subunit. Protein Pept Lett (2005) 0.80
Alternate binding mode of C-terminal phenethylamine analogs of G(t)alpha(340-350) to photoactivated rhodopsin. Chem Biol Drug Des (2006) 0.80
SKATE: a docking program that decouples systematic sampling from scoring. J Comput Chem (2010) 0.80
Difference between restoring and predicting 3D structures of the loops in G-protein-coupled receptors by molecular modeling. Proc Natl Acad Sci U S A (2011) 0.80
ProVal: a protein-scoring function for the selection of native and near-native folds. Proteins (2004) 0.79
A second look at mini-protein stability: analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations. Biophys J (2009) 0.79
Targeting the dimerization of epidermal growth factor receptors with small-molecule inhibitors. Chem Biol Drug Des (2010) 0.79
Conformational templates for rational drug design: flexibility of cyclo(D-Pro1-Ala2-Ala3-Ala4-Ala5) in DMSO solution. J Med Chem (2007) 0.79
Simplified modeling approach suggests structural mechanisms for constitutive activation of the C5a receptor. Proteins (2010) 0.79
Molecular modeling suggests conformational scaffolds specifically targeting five subtypes of somatostatin receptors. Chem Biol Drug Des (2007) 0.79
Peptide-bond modification for metal coordination: peptides containing two hydroxamate groups. Biopolymers (2003) 0.78
Design, synthesis and QSAR studies on N-aryl heteroarylisopropanolamines, a new class of non-peptidic HIV-1 protease inhibitors. Bioorg Med Chem (2002) 0.78
Using ligand-based virtual screening to allosterically stabilize the activated state of a GPCR. Chem Biol Drug Des (2010) 0.78
3D modeling of the activated states of constitutively active mutants of rhodopsin. Biochem Biophys Res Commun (2006) 0.78
Defining the interface between the C-terminal fragment of alpha-transducin and photoactivated rhodopsin. Biophys J (2007) 0.77
Solid-phase synthesis of methyl carboxymycobactin T 7 and analogues as potential antimycobacterial agents. Bioorg Med Chem Lett (2003) 0.77
Impact of azaproline on amide cis-trans isomerism: conformational analyses and NMR studies of model peptides including TRH analogues. J Am Chem Soc (2003) 0.76
Engineering metal complexes of chiral pentaazacrowns as privileged reverse-turn scaffolds. Chem Biol Drug Des (2007) 0.76
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. J Comput Aided Mol Des (2012) 0.76
Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence. Proteins (2014) 0.76
A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists. Biopolymers (2006) 0.76
Validated ligand mapping of ACE active site. J Comput Aided Mol Des (2005) 0.75
c[D-pro-Pro-D-pro-N-methyl-Ala] adopts a rigid conformation that serves as a scaffold to mimic reverse-turns. Biopolymers (2008) 0.75
Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognition. J Comput Aided Mol Des (2003) 0.75