Published in J Org Chem on May 30, 2008
A medicinal chemist's guide to molecular interactions. J Med Chem (2010) 3.39
Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents. J Am Chem Soc (2009) 1.10
Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein. J Med Chem (2013) 0.95
Electronic and steric effects in binding of deep cavitands. Org Lett (2008) 0.88
In silico discovery of aminoacyl-tRNA synthetase inhibitors. Int J Mol Sci (2014) 0.83
Targeting Peroxisome Proliferator-Activated Receptors Using Thiazolidinediones: Strategy for Design of Novel Antidiabetic Drugs. Int J Med Chem (2017) 0.78
Synthesis and crystallographic analysis of meso-2,3-difluoro-1,4-butanediol and meso-1,4-dibenzyloxy-2,3-difluorobutane. Beilstein J Org Chem (2010) 0.75
Fluorine in pharmaceuticals: looking beyond intuition. Science (2007) 8.98
Interactions with aromatic rings in chemical and biological recognition. Angew Chem Int Ed Engl (2003) 5.63
Aromatic rings in chemical and biological recognition: energetics and structures. Angew Chem Int Ed Engl (2011) 2.48
Systematic investigation of halogen bonding in protein-ligand interactions. Angew Chem Int Ed Engl (2011) 1.54
Orthogonal multipolar interactions in structural chemistry and biology. Angew Chem Int Ed Engl (2005) 1.54
Predicting and tuning physicochemical properties in lead optimization: amine basicities. ChemMedChem (2007) 1.48
The pleasure and importance of printed journals. Nature (2009) 1.39
Molecular recognition in chemical and biological systems. Angew Chem Int Ed Engl (2015) 1.28
Quantification of cation-pi interactions in protein-ligand complexes: crystal-structure analysis of Factor Xa bound to a quaternary ammonium ion ligand. Angew Chem Int Ed Engl (2005) 1.20
Structural aspects of fullerene chemistry--a journey through fullerene chirality. Chem Rev (2006) 1.17
Phosphate recognition in structural biology. Angew Chem Int Ed Engl (2007) 1.17
Regio- and stereoselective tether-directed remote functionalization of C60 with derivatives of the Tröger base. Angew Chem Int Ed Engl (2004) 1.15
Steroids in Molecular Recognition. Chem Rev (1997) 1.09
Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalised 6,6-dicyanopentafulvene with an intense, low-energy charge-transfer band. Chem Commun (Camb) (2011) 1.06
Fluorine interactions at the thrombin active site: protein backbone fragments H-C(alpha)-C=O comprise a favorable C-F environment and interactions of C-F with electrophiles. Chembiochem (2004) 0.99
Container molecules with portals: Reversibly switchable cycloalkane complexation. Angew Chem Int Ed Engl (2007) 0.99
Modification of supramolecular binding motifs induced by substrate registry: formation of self-assembled macrocycles and chain-like patterns. Chemistry (2009) 0.97
Amphiphilic dendrimers: novel self-assembling vectors for efficient gene delivery. Angew Chem Int Ed Engl (2003) 0.96
Orthogonal dipolar interactions between amide carbonyl groups. Proc Natl Acad Sci U S A (2008) 0.95
Allenes in molecular materials. Angew Chem Int Ed Engl (2012) 0.95
Pentafluorosulfanyl as a novel building block for enzyme inhibitors: trypanothione reductase inhibition and antiprotozoal activities of diarylamines. Chembiochem (2009) 0.94
Supramolecular patterned surfaces driven by cooperative assembly of C60 and porphyrins on metal substrates. Angew Chem Int Ed Engl (2004) 0.93
Geometrically precisely defined multinanometer expansion/contraction motions in a resorcin[4]arene cavitand based molecular switch. Angew Chem Int Ed Engl (2005) 0.93
A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions. Org Biomol Chem (2004) 0.93
A weak attractive interaction between organic fluorine and an amide group. Angew Chem Int Ed Engl (2004) 0.92
Cation-pi interactions at the active site of factor Xa: dramatic enhancement upon stepwise N-alkylation of ammonium ions. Angew Chem Int Ed Engl (2009) 0.92
Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding. J Mol Biol (2007) 0.91
A fluorine scan of thrombin inhibitors to map the fluorophilicity/fluorophobicity of an enzyme active site: evidence for C-F...C=O interactions. Angew Chem Int Ed Engl (2003) 0.90
Directed rotations of single porphyrin molecules controlled by localized force spectroscopy. ACS Nano (2012) 0.89
Inhibitors of the herbicidal target IspD: allosteric site binding. Angew Chem Int Ed Engl (2011) 0.88
The state of the art of chemical biology. Chembiochem (2009) 0.88
Improved inhibitors of trypanothione reductase by combination of motifs: synthesis, inhibitory potency, binding mode, and antiprotozoal activities. ChemMedChem (2010) 0.88
Starving the malaria parasite: inhibitors active against the aspartic proteases plasmepsins I, II, and IV. Angew Chem Int Ed Engl (2006) 0.87
Conjugated oligoenynes based on the diethynylethene unit. Chem Rev (2005) 0.87
Efficient stacking on protein amide fragments. ChemMedChem (2013) 0.87
Supramolecular [60]fullerene chemistry on surfaces. Chem Soc Rev (2006) 0.87
Property tuning in charge-transfer chromophores by systematic modulation of the spacer between donor and acceptor. Chemistry (2007) 0.87
Molecular torsion balances: evidence for favorable orthogonal dipolar interactions between organic fluorine and amide groups. Angew Chem Int Ed Engl (2007) 0.87
From lin-benzoguanines to lin-benzohypoxanthines as ligands for Zymomonas mobilis tRNA-guanine transglycosylase: replacement of protein-ligand hydrogen bonding by importing water clusters. Chemistry (2012) 0.87
Calculation of binding free energies of inhibitors to plasmepsin II. J Comput Chem (2011) 0.85
Molecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural water. Chemistry (2011) 0.85
Triply fused Zn(II)-porphyrin oligomers: synthesis, properties, and supramolecular interactions with single-walled carbon nanotubes (SWNTs). Chemistry (2006) 0.84
Halogen bonding of (iodoethynyl)benzene derivatives in solution. Org Lett (2014) 0.84
Fluorescent inhibitors for IspF, an enzyme in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy. Angew Chem Int Ed Engl (2006) 0.84
A fluorine scan at the catalytic center of thrombin: C--F, C--OH, and C--OMe bioisosterism and fluorine effects on pKa and log D values. ChemMedChem (2006) 0.84
Nonphosphate inhibitors of IspE protein, a kinase in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy. ChemMedChem (2007) 0.83
A supramolecular multiposition rotary device. Angew Chem Int Ed Engl (2007) 0.83
Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor. Angew Chem Int Ed Engl (2009) 0.83
Cryogenic 35GHz pulse ENDOR probehead accommodating large sample sizes: Performance and applications. J Magn Reson (2009) 0.83
Shape-persistent chiral alleno-acetylenic macrocycles and cyclophanes by acetylenic scaffolding with 1,3-diethynylallenes. Angew Chem Int Ed Engl (2005) 0.83
Synthesis and characterization of cytidine derivatives that inhibit the kinase IspE of the non-mevalonate pathway for isoprenoid biosynthesis. ChemMedChem (2008) 0.83
Potent and selective inhibition of cysteine proteases from Plasmodium falciparum and Trypanosoma brucei. ChemMedChem (2010) 0.83
Nanoscale engineering of molecular porphyrin wires on insulating surfaces. Small (2008) 0.83
Thiazolopyrimidine inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Mycobacterium tuberculosis and Plasmodium falciparum. ChemMedChem (2010) 0.83
1,2,3-triazoles as conjugative pi-linkers in push-pull chromophores: importance of substituent positioning on intramolecular charge-transfer. Org Lett (2008) 0.82
Two-dimensional acetylenic scaffolding: extended donor-substituted perethynylated dehydroannulenes. Chem Asian J (2006) 0.82
Halogen bonding at the active sites of human cathepsin L and MEK1 kinase: efficient interactions in different environments. ChemMedChem (2011) 0.82
Molecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitors. Chemistry (2011) 0.82
Diaryl sulfide-based inhibitors of trypanothione reductase: inhibition potency, revised binding mode and antiprotozoal activities. Org Biomol Chem (2008) 0.82
Acetylene-derived strong organic acceptors for planar and nonplanar push-pull chromophores. Acc Chem Res (2009) 0.82
Inhibitors of the kinase IspE: structure-activity relationships and co-crystal structure analysis. Org Biomol Chem (2008) 0.82
Structures and stabilities of diacetylene-expanded polyhedranes by quantum mechanics and molecular mechanics. J Org Chem (2005) 0.81
De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity. Chembiochem (2002) 0.81
Synthesis, inhibition potency, binding mode, and antiprotozoal activities of fluorescent inhibitors of trypanothione reductase based on mepacrine-conjugated diaryl sulfide scaffolds. ChemMedChem (2009) 0.81
A new class of organic donor-acceptor molecules with large third-order optical nonlinearities. Chem Commun (Camb) (2005) 0.81
PROLIX: rapid mining of protein-ligand interactions in large crystal structure databases. J Chem Inf Model (2012) 0.81
How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylase. ChemMedChem (2009) 0.81
High-affinity inhibitors of tRNA-guanine transglycosylase replacing the function of a structural water cluster. Chemistry (2009) 0.81
Regio- and diastereoselective synthesis of bis- and tetrakisadducts of C70 by directed remote functionalization using Tröger base tethers. Chemistry (2006) 0.81
One-electron-reduced and -oxidized stages of donor-substituted 1,1,4,4-tetracyanobuta-1,3-dienes of different molecular architectures. Chemistry (2008) 0.81
Pseudilins: halogenated, allosteric inhibitors of the non-mevalonate pathway enzyme IspD. Angew Chem Int Ed Engl (2014) 0.81
Bisubstrate inhibitors for the enzyme catechol-O-methyltransferase (COMT): influence of inhibitor preorganisation and linker length between the two substrate moieties on binding affinity. Org Biomol Chem (2003) 0.81
Tuning and predicting biological affinity: aryl nitriles as cysteine protease inhibitors. Org Biomol Chem (2012) 0.80
Launching spiking ligands into a protein-protein interface: a promising strategy to destabilize and break interface formation in a tRNA modifying enzyme. ACS Chem Biol (2013) 0.80
Free enthalpies of replacing water molecules in protein binding pockets. J Comput Aided Mol Des (2012) 0.80
Charge-transfer chromophores by cycloaddition-retro-electrocyclization: multivalent systems and cascade reactions. Angew Chem Int Ed Engl (2007) 0.80
Resonant tunnelling through a C(60) molecular junction in a liquid environment. Nanotechnology (2005) 0.80
A novel reaction of 7,7,8,8-tetracyanoquinodimethane (TCNQ): charge-transfer chromophores by [2 + 2] cycloaddition with alkynes. Chem Commun (Camb) (2007) 0.79
Crystallographic study of inhibitors of tRNA-guanine transglycosylase suggests a new structure-based pharmacophore for virtual screening. J Mol Biol (2004) 0.79
Experimental and computational study of BODIPY dye-labeled cavitand dynamics. J Am Chem Soc (2014) 0.79
Effects of the dendrimer cage on O2 binding of dendritic cobalt(II) porphyrins. Chemphyschem (2002) 0.79
Peralkynylated buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds in the range of those of peptide C--N bonds. Chemistry (2004) 0.79
Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications. Org Biomol Chem (2003) 0.79
1,3-Diethynylallenes (DEAs): enantioselective synthesis, absolute configuration, and chiral induction in 1,1,4,4-tetracyanobuta-1,3-dienes (TCBDs). Chemistry (2008) 0.79
Conformational behavior of pyrazine-bridged and mixed-bridged cavitands: a general model for solvent effects on thermal "vase-kite" switching. Chemistry (2006) 0.79
FRET studies on a series of BODIPY-dye-labeled switchable resorcin[4]arene cavitands. Chemistry (2010) 0.79
New donor-acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives. Org Biomol Chem (2009) 0.79
Optical properties of highly nonlinear silicon-organic hybrid (SOH) waveguide geometries. Opt Express (2009) 0.79
Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT. Chembiochem (2009) 0.79
Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. ChemMedChem (2014) 0.78
Medicinal chemistry in academia: molecular recognition with biological receptors. Chem Commun (Camb) (2004) 0.78
Self-assembly and two-dimensional spontaneous resolution of cyano-functionalized [7]helicenes on Cu111. Angew Chem Int Ed Engl (2011) 0.78
Supramolecular synthons on surfaces: controlling dimensionality and periodicity of tetraarylporphyrin assemblies by the interplay of cyano and alkoxy substituents. Chemistry (2008) 0.78
Photophysical and electrochemical properties of meso, meso-linked oligoporphyrin rods with appended fullerene terminals. Chemphyschem (2005) 0.78
Betraying the parasite's redox system: diaryl sulfide-based inhibitors of trypanothione reductase: subversive substrates and antitrypanosomal properties. ChemMedChem (2007) 0.78
Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors. Org Biomol Chem (2006) 0.78
Bisubstrate inhibitors of catechol O-methyltransferase (COMT): the crucial role of the ribose structural unit for inhibitor binding affinity. ChemMedChem (2006) 0.78
Quinone-based, redox-active resorcin[4]arene cavitands. Angew Chem Int Ed Engl (2011) 0.78
Optical stability of axially chiral push-pull-substituted buta-1,3-dienes: effect of a single methyl group on the C60 surface. Angew Chem Int Ed Engl (2010) 0.78