Published in J Med Chem on May 11, 2007
A comprehensive study of Sansalvamide A derivatives: The structure-activity relationships of 78 derivatives in two pancreatic cancer cell lines. Bioorg Med Chem (2009) 1.04
Design of a conformationally defined and proteolytically stable circular mimetic of brain-derived neurotrophic factor. J Biol Chem (2008) 0.83
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
Synthesis and characterization of a macrocyclic near-infrared optical scaffold. J Am Chem Soc (2003) 1.33
Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors. Proteins (2010) 1.27
Genetic analysis of the first and third extracellular loops of the C5a receptor reveals an essential WXFG motif in the first loop. J Biol Chem (2006) 1.00
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
Constitutive activity of neural melanocortin receptors. Methods Enzymol (2010) 0.92
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
Impact of cis-proline analogs on peptide conformation. Biopolymers (2006) 0.91
Virtual screening for lead discovery. Methods Mol Biol (2011) 0.91
Structure of the complement factor 5a receptor-ligand complex studied by disulfide trapping and molecular modeling. J Biol Chem (2008) 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
Exploring new near-infrared fluorescent disulfide-based cyclic RGD peptide analogs for potential integrin-targeted optical imaging. Bioorg Med Chem Lett (2011) 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
Targeting Beta-3 integrin using a linear hexapeptide labeled with a near-infrared fluorescent molecular probe. Mol Pharm (2006) 0.86
Insight into the binding mode for cyclopentapeptide antagonists of the CXCR4 receptor. Chem Biol Drug Des (2006) 0.85
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
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
Conformationally restricted TRH analogues: constraining the pyroglutamate region. Bioorg Med Chem (2002) 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
Hydroxamate-based iron chelators: combinatorial syntheses of desferrioxamine B analogues and evaluation of binding affinities. J Comb Chem (2004) 0.83
Modeling of the complex between transducin and photoactivated rhodopsin, a prototypical G-protein-coupled receptor. Biochemistry (2007) 0.82
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
Do benzodiazepines mimic reverse-turn structures? J Comput Aided Mol Des (2006) 0.81
Synthesis of the phenylpyridal scaffold as a helical peptide mimetic. Chemistry (2010) 0.81
Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. J Chem Inf Model (2012) 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
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. I. Identification of critical residues. J Biol Chem (2006) 0.81
Novel trihydroxamate-containing peptides: design, synthesis, and metal coordination. Biopolymers (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
A comprehensive structure-function map of the intracellular surface of the human C5a receptor. II. Elucidation of G protein specificity determinants. J Biol Chem (2006) 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
Expressed protein ligation to study protein interactions: semi-synthesis of the G-protein alpha subunit. Protein Pept Lett (2005) 0.80
Molecular modeling suggests conformational scaffolds specifically targeting five subtypes of somatostatin receptors. Chem Biol Drug Des (2007) 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
ProVal: a protein-scoring function for the selection of native and near-native folds. Proteins (2004) 0.79
Simplified modeling approach suggests structural mechanisms for constitutive activation of the C5a receptor. Proteins (2010) 0.79
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
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
Conformational movement of F251 contributes to the molecular mechanism of constitutive activation in the C5a receptor. Chem Biol Drug Des (2008) 0.77
Solid-phase synthesis of methyl carboxymycobactin T 7 and analogues as potential antimycobacterial agents. Bioorg Med Chem Lett (2003) 0.77
Complement factor 5a receptor chimeras reveal the importance of lipid-facing residues in transport competence. FEBS J (2009) 0.77
Defining the interface between the C-terminal fragment of alpha-transducin and photoactivated rhodopsin. Biophys J (2007) 0.77
Vinyl sulfide cyclized analogues of angiotensin II with high affinity and full agonist activity at the AT(1) receptor. J Med Chem (2002) 0.77
Impact of azaproline on Peptide conformation. J Org Chem (2004) 0.77
Comparison of the retinitis pigmentosa mutations in rhodopsin with a functional map of the C5a receptor. Vision Res (2006) 0.76
A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists. Biopolymers (2006) 0.76
Engineering metal complexes of chiral pentaazacrowns as privileged reverse-turn scaffolds. Chem Biol Drug Des (2007) 0.76
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
Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence. Proteins (2014) 0.76
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. J Comput Aided Mol Des (2012) 0.76
Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognition. J Comput Aided Mol Des (2003) 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
Validated ligand mapping of ACE active site. J Comput Aided Mol Des (2005) 0.75