Published in J Am Chem Soc on December 04, 2002
Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.63
First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin. Biophys J (2004) 1.30
The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.26
Test of the Binding Threshold Hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93. Protein Sci (2005) 0.92
Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding site. J Mol Graph Model (2007) 0.90
Selectivity and specificity of substrate binding in methionyl-tRNA synthetase. Protein Sci (2004) 0.82
Study of the Binding Energies between Unnatural Amino Acids and Engineered Orthogonal Tyrosyl-tRNA Synthetases. Sci Rep (2015) 0.77
Steric and thermodynamic limits of design for the incorporation of large unnatural amino acids in aminoacyl-tRNA synthetase enzymes. Proteins (2010) 0.77
Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader. Chem Commun (Camb) (2016) 0.75
Designing materials for biology and medicine. Nature (2004) 7.73
Incorporation of azides into recombinant proteins for chemoselective modification by the Staudinger ligation. Proc Natl Acad Sci U S A (2001) 4.88
Silicon nanowires as efficient thermoelectric materials. Nature (2008) 4.80
Selective identification of newly synthesized proteins in mammalian cells using bioorthogonal noncanonical amino acid tagging (BONCAT). Proc Natl Acad Sci U S A (2006) 4.44
In situ visualization and dynamics of newly synthesized proteins in rat hippocampal neurons. Nat Neurosci (2010) 3.51
Cell surface labeling of Escherichia coli via copper(I)-catalyzed [3+2] cycloaddition. J Am Chem Soc (2003) 3.25
Phosphofructokinase 1 glycosylation regulates cell growth and metabolism. Science (2012) 3.05
Fluorescence visualization of newly synthesized proteins in mammalian cells. Angew Chem Int Ed Engl (2006) 2.96
Labeling, detection and identification of newly synthesized proteomes with bioorthogonal non-canonical amino-acid tagging. Nat Protoc (2007) 2.82
Cell-selective metabolic labeling of proteins. Nat Chem Biol (2009) 2.61
Sulfation patterns of glycosaminoglycans encode molecular recognition and activity. Nat Chem Biol (2006) 2.25
Discovery of aminoacyl-tRNA synthetase activity through cell-surface display of noncanonical amino acids. Proc Natl Acad Sci U S A (2006) 2.23
Prediction of structure and function of G protein-coupled receptors. Proc Natl Acad Sci U S A (2002) 2.19
Quantifying cellular traction forces in three dimensions. Proc Natl Acad Sci U S A (2009) 1.98
Presentation and detection of azide functionality in bacterial cell surface proteins. J Am Chem Soc (2004) 1.88
Mechanism of C-F reductive elimination from palladium(IV) fluorides. J Am Chem Soc (2010) 1.83
From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties. Proc Natl Acad Sci U S A (2004) 1.82
The inner-sphere process in the enantioselective Tsuji allylation reaction with (S)-t-Bu-phosphinooxazoline ligands. J Am Chem Soc (2007) 1.80
Non-canonical amino acids in protein engineering. Curr Opin Biotechnol (2003) 1.78
Selective dye-labeling of newly synthesized proteins in bacterial cells. J Am Chem Soc (2005) 1.77
Self-assembly of carbon nanotubes into two-dimensional geometries using DNA origami templates. Nat Nanotechnol (2009) 1.76
A radically configurable six-state compound. Science (2013) 1.67
Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.63
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation. J Phys Chem A (2008) 1.63
Oxidative aliphatic C-H fluorination with fluoride ion catalyzed by a manganese porphyrin. Science (2012) 1.62
Residue-specific incorporation of non-canonical amino acids into proteins: recent developments and applications. Curr Opin Chem Biol (2010) 1.61
Three-dimensional traction force microscopy: a new tool for quantifying cell-matrix interactions. PLoS One (2011) 1.55
Unnatural amino acid incorporation into virus-like particles. Bioconjug Chem (2008) 1.54
Tuning the erosion rate of artificial protein hydrogels through control of network topology. Nat Mater (2006) 1.51
Cleavable biotin probes for labeling of biomolecules via azide-alkyne cycloaddition. J Am Chem Soc (2010) 1.47
Shock waves in high-energy materials: the initial chemical events in nitramine RDX. Phys Rev Lett (2003) 1.46
Discovery of Escherichia coli methionyl-tRNA synthetase mutants for efficient labeling of proteins with azidonorleucine in vivo. Proc Natl Acad Sci U S A (2009) 1.45
Comparative cell response to artificial extracellular matrix proteins containing the RGD and CS5 cell-binding domains. Biomacromolecules (2004) 1.44
Noncanonical amino acids in the interrogation of cellular protein synthesis. Acc Chem Res (2011) 1.44
A bonding model for gold(I) carbene complexes. Nat Chem (2009) 1.44
Covalent organic frameworks as exceptional hydrogen storage materials. J Am Chem Soc (2008) 1.42
Mechanism for the phase transition of a genetically engineered elastin model peptide (VPGIG)40 in aqueous solution. Biomacromolecules (2003) 1.40
Linear artificial molecular muscles. J Am Chem Soc (2005) 1.38
Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation. Biophys J (2007) 1.37
Endothelial cell adhesion to the fibronectin CS5 domain in artificial extracellular matrix proteins. Biomaterials (2003) 1.37
Two-color labeling of temporally defined protein populations in mammalian cells. Bioorg Med Chem Lett (2008) 1.30
Protein engineering approaches to biomaterials design. Curr Opin Biotechnol (2005) 1.30
Mechanism of direct molecular oxygen insertion in a palladium(II)-hydride bond. Inorg Chem (2006) 1.30
First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin. Biophys J (2004) 1.30
Non-canonical amino acid labeling in vivo to visualize and affinity purify newly synthesized proteins in larval zebrafish. ACS Chem Neurosci (2012) 1.30
Engineering cooperativity in biomotor-protein assemblies. Science (2006) 1.30
Gold-catalyzed intramolecular aminoarylation of alkenes: C-C bond formation through bimolecular reductive elimination. Angew Chem Int Ed Engl (2010) 1.29
Biosynthesis of proteins incorporating a versatile set of phenylalanine analogues. Chembiochem (2002) 1.28
Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive. J Am Chem Soc (2009) 1.27
Core-clickable PEG-branch-azide bivalent-bottle-brush polymers by ROMP: grafting-through and clicking-to. J Am Chem Soc (2010) 1.26
The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. Proc Natl Acad Sci U S A (2004) 1.26
Attenuation of the editing activity of the Escherichia coli leucyl-tRNA synthetase allows incorporation of novel amino acids into proteins in vivo. Biochemistry (2002) 1.26
New alkali doped pillared carbon materials designed to achieve practical reversible hydrogen storage for transportation. Phys Rev Lett (2004) 1.25
Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation. J Biol Chem (2006) 1.24
Mechanism for antibody catalysis of the oxidation of water by singlet dioxygen. Proc Natl Acad Sci U S A (2002) 1.23
Mechanically bonded macromolecules. Chem Soc Rev (2009) 1.23
A designed phenylalanyl-tRNA synthetase variant allows efficient in vivo incorporation of aryl ketone functionality into proteins. J Am Chem Soc (2002) 1.22
HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases. J Med Chem (2004) 1.22
Physical properties of artificial extracellular matrix protein films prepared by isocyanate crosslinking. Biomaterials (2003) 1.21
Artificial polypeptide scaffold for protein immobilization. J Am Chem Soc (2005) 1.21
Evolution of a fluorinated green fluorescent protein. Proc Natl Acad Sci U S A (2007) 1.21
Yielding Behavior in Injectable Hydrogels from Telechelic Proteins. Macromolecules (2010) 1.21
Colony-forming cells in the adult mouse pancreas are expandable in Matrigel and form endocrine/acinar colonies in laminin hydrogel. Proc Natl Acad Sci U S A (2013) 1.20
Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment. Chem Senses (2004) 1.19
First principles calculations of the tautomers and pK(a) values of 8-oxoguanine: implications for mutagenicity and repair. Chem Res Toxicol (2002) 1.18
Lithographic patterning of photoreactive cell-adhesive proteins. J Am Chem Soc (2007) 1.18
The reaction mechanism of the enantioselective Tsuji allylation: inner-sphere and outer-sphere pathways, internal rearrangements, and asymmetric C-C bond formation. J Am Chem Soc (2012) 1.17
Calculation of solvation free energies of charged solutes using mixed cluster/continuum models. J Phys Chem B (2008) 1.15
Preparation of the functionalizable methionine surrogate azidohomoalanine via copper-catalyzed diazo transfer. Nat Protoc (2007) 1.15
Excited electron dynamics modeling of warm dense matter. Phys Rev Lett (2007) 1.15
Live-cell imaging of cellular proteins by a strain-promoted azide-alkyne cycloaddition. Chembiochem (2010) 1.14
Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics. J Phys Chem B (2011) 1.13
Position of helical kinks in membrane protein crystal structures and the accuracy of computational prediction. J Mol Graph Model (2009) 1.13
Cell response to RGD density in cross-linked artificial extracellular matrix protein films. Biomacromolecules (2008) 1.13
Human breast cancer metastases to the brain display GABAergic properties in the neural niche. Proc Natl Acad Sci U S A (2014) 1.13
Radically enhanced molecular recognition. Nat Chem (2009) 1.13
Interaction of E. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells. Proteins (2003) 1.12
The role of conformational ensembles in ligand recognition in G-protein coupled receptors. J Am Chem Soc (2011) 1.12
Structural characterization of unsaturated phosphatidylcholines using traveling wave ion mobility spectrometry. Anal Chem (2009) 1.12
Stabilization of bzip peptides through incorporation of fluorinated aliphatic residues. Chembiochem (2006) 1.12
Cell-binding domain context affects cell behavior on engineered proteins. Biomacromolecules (2005) 1.11
Chemistries for patterning robust DNA microbarcodes enable multiplex assays of cytoplasm proteins from single cancer cells. Chemphyschem (2010) 1.11
Folding of small proteins using constrained molecular dynamics. J Phys Chem B (2011) 1.11
Thermal decomposition of RDX from reactive molecular dynamics. J Chem Phys (2005) 1.10
Agonist-induced conformational changes in bovine rhodopsin: insight into activation of G-protein-coupled receptors. J Mol Biol (2008) 1.10
Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors. Chem Senses (2004) 1.09
On the impact of steric and electronic properties of ligands on gold(I)-catalyzed cycloaddition reactions. Org Lett (2009) 1.09
Reassignment of sense codons in vivo. Methods (2005) 1.09
Temperature dependence of blue phosphorescent cyclometalated Ir(III) complexes. J Am Chem Soc (2009) 1.09
Drug-loaded, bivalent-bottle-brush polymers by graft-through ROMP. Macromolecules (2010) 1.09