Published in Chemistry on June 14, 2006
Limitations and extensions of the lock-and-key principle: differences between gas state, solution and solid state structures. Int J Mol Sci (2015) 0.76
Building on Cram's legacy: stimulated gating in hemicarcerands. Acc Chem Res (2014) 0.76
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
Orthogonal multipolar interactions in structural chemistry and biology. Angew Chem Int Ed Engl (2005) 1.54
Systematic investigation of halogen bonding in protein-ligand interactions. Angew Chem Int Ed Engl (2011) 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
Unique ligand-based oxidative DNA cleavage by zinc(II) complexes of hpyramol and hpyrimol. Chemistry (2007) 1.07
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
Structure-based drug design: exploring the proper filling of apolar pockets at enzyme active sites. J Org Chem (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
Synthesis and properties of water-soluble asterisk molecules. J Am Chem Soc (2002) 0.90
Directed rotations of single porphyrin molecules controlled by localized force spectroscopy. ACS Nano (2012) 0.89
Supramolecular sensing with phosphonate cavitands. Chemistry (2008) 0.89
Inhibitors of the herbicidal target IspD: allosteric site binding. Angew Chem Int Ed Engl (2011) 0.88
Molecular recognition at the gas-solid interface: a powerful tool for chemical sensing. Chem Soc Rev (2007) 0.88
Measuring H-bonding in supramolecular complexes by gas phase ion-molecule reactions. Chem Commun (Camb) (2007) 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
Cavitand-functionalized SWCNTs for N-methylammonium detection. J Am Chem Soc (2012) 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
Fully reversible guest exchange in tetraphosphonate cavitand complexes probed by fluorescence spectroscopy. Chem Commun (Camb) (2008) 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
DNA photography: an ultrasensitive DNA-detection method based on photographic techniques. Angew Chem Int Ed Engl (2007) 0.85
Halogen bonding of (iodoethynyl)benzene derivatives in solution. Org Lett (2014) 0.84
Triply fused Zn(II)-porphyrin oligomers: synthesis, properties, and supramolecular interactions with single-walled carbon nanotubes (SWNTs). Chemistry (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
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
3-D lanthanide metal-organic frameworks: structure, photoluminescence, and magnetism. Inorg Chem (2009) 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
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
Anion binding to resorcinarene-based cavitands: the importance of C-H...anion interactions. Angew Chem Int Ed Engl (2008) 0.83
Exclusive recognition of sarcosine in water and urine by a cavitand-functionalized silicon surface. Proc Natl Acad Sci U S A (2012) 0.83
Cryogenic 35GHz pulse ENDOR probehead accommodating large sample sizes: Performance and applications. J Magn Reson (2009) 0.83
A supramolecular multiposition rotary device. Angew Chem Int Ed Engl (2007) 0.83
Thiazolopyrimidine inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Mycobacterium tuberculosis and Plasmodium falciparum. ChemMedChem (2010) 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
Nanoscale engineering of molecular porphyrin wires on insulating surfaces. Small (2008) 0.83
Nanomechanical recognition of N-methylammonium salts. J Am Chem Soc (2012) 0.83
Potent and selective inhibition of cysteine proteases from Plasmodium falciparum and Trypanosoma brucei. ChemMedChem (2010) 0.83
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
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
Grafting cavitands on the Si(100) surface. Langmuir (2006) 0.82
Acetylene-derived strong organic acceptors for planar and nonplanar push-pull chromophores. Acc Chem Res (2009) 0.82
Molecular recognition on a cavitand-functionalized silicon surface. J Am Chem Soc (2009) 0.82
Two-dimensional acetylenic scaffolding: extended donor-substituted perethynylated dehydroannulenes. Chem Asian J (2006) 0.82
Diaryl sulfide-based inhibitors of trypanothione reductase: inhibition potency, revised binding mode and antiprotozoal activities. Org Biomol Chem (2008) 0.82
Inhibitors of the kinase IspE: structure-activity relationships and co-crystal structure analysis. Org Biomol Chem (2008) 0.82
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
High-affinity inhibitors of tRNA-guanine transglycosylase replacing the function of a structural water cluster. Chemistry (2009) 0.81
Controlled copper-mediated chlorination of phenol rings under mild conditions. Inorg Chem (2007) 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
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
Highly selective monomethylation of primary amines through host-guest product sequestration. J Am Chem Soc (2009) 0.81
PROLIX: rapid mining of protein-ligand interactions in large crystal structure databases. J Chem Inf Model (2012) 0.81
Regio- and diastereoselective synthesis of bis- and tetrakisadducts of C70 by directed remote functionalization using Tröger base tethers. Chemistry (2006) 0.81
Cavitand-based nanoscale coordination cages. J Am Chem Soc (2004) 0.81
Structures and stabilities of diacetylene-expanded polyhedranes by quantum mechanics and molecular mechanics. J Org Chem (2005) 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
A new class of organic donor-acceptor molecules with large third-order optical nonlinearities. Chem Commun (Camb) (2005) 0.81
Pseudilins: halogenated, allosteric inhibitors of the non-mevalonate pathway enzyme IspD. Angew Chem Int Ed Engl (2014) 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
Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study. Org Biomol Chem (2009) 0.80
Crystallographic evidence of nitrate-pi interactions involving the electron-deficient 1,3,5-triazine ring. Inorg Chem (2006) 0.80
Formation of tetrameric water clusters driven by a cavitand template. Chem Commun (Camb) (2009) 0.80
Host-guest driven self-assembly of linear and star supramolecular polymers. Angew Chem Int Ed Engl (2008) 0.80
Resonant tunnelling through a C(60) molecular junction in a liquid environment. Nanotechnology (2005) 0.80