Published in ChemMedChem on June 01, 2006
Use of Fluorinated Functionality in Enzyme Inhibitor Development: Mechanistic and Analytical Advantages. J Fluor Chem (2008) 0.92
Significant enhancement of docking sensitivity using implicit ligand sampling. J Chem Inf Model (2011) 0.86
Fluorine-18 Radiolabeled PET Tracers for Imaging Monoamine Transporters: Dopamine, Serotonin, and Norepinephrine. PET Clin (2009) 0.82
Enantioselective synthesis of (2R, 3S)- and (2S, 3R)-4,4,4-trifluoro-N-Fmoc-O-tert-butyl-threonine and their racemization-free incorporation into oligopeptides via solid-phase synthesis. Biopolymers (2007) 0.81
Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett (2013) 0.78
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
Fluorine in medicinal chemistry. Chembiochem (2004) 3.25
Aromatic rings in chemical and biological recognition: energetics and structures. Angew Chem Int Ed Engl (2011) 2.48
Predicting plasma protein binding of drugs: a new approach. Biochem Pharmacol (2002) 1.85
Coexistence of passive and carrier-mediated processes in drug transport. Nat Rev Drug Discov (2010) 1.73
Development of a virtual screening method for identification of "frequent hitters" in compound libraries. J Med Chem (2002) 1.63
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
Spirocyclic oxetanes: synthesis and properties. Angew Chem Int Ed Engl (2008) 1.44
Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds. ChemMedChem (2009) 1.42
The pleasure and importance of printed journals. Nature (2009) 1.39
Oxetanes as promising modules in drug discovery. Angew Chem Int Ed Engl (2006) 1.31
Molecular recognition in chemical and biological systems. Angew Chem Int Ed Engl (2015) 1.28
Oxetanes in drug discovery: structural and synthetic insights. J Med Chem (2010) 1.24
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
The thioesterase domain of the fengycin biosynthesis cluster: a structural base for the macrocyclization of a non-ribosomal lipopeptide. J Mol Biol (2006) 1.16
Regio- and stereoselective tether-directed remote functionalization of C60 with derivatives of the Tröger base. Angew Chem Int Ed Engl (2004) 1.15
PAMPA--critical factors for better predictions of absorption. J Pharm Sci (2007) 1.10
Steroids in Molecular Recognition. Chem Rev (1997) 1.09
High throughput solubility measurement in drug discovery and development. Adv Drug Deliv Rev (2007) 1.06
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
Design, data analysis, and simulation of in vitro drug transport kinetic experiments using a mechanistic in vitro model. Drug Metab Dispos (2008) 0.99
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
Geometrically precisely defined multinanometer expansion/contraction motions in a resorcin[4]arene cavitand based molecular switch. Angew Chem Int Ed Engl (2005) 0.93
Supramolecular patterned surfaces driven by cooperative assembly of C60 and porphyrins on metal substrates. Angew Chem Int Ed Engl (2004) 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
Crystal Structure of Potassium Croconate Dihydrate, after 175 Years. Angew Chem Int Ed Engl (2001) 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
Solubility-excipient classification gradient maps. Pharm Res (2007) 0.90
Directed rotations of single porphyrin molecules controlled by localized force spectroscopy. ACS Nano (2012) 0.89
Synthesis of azaspirocycles and their evaluation in drug discovery. Angew Chem Int Ed Engl (2010) 0.89
Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series. Eur J Med Chem (2010) 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
Molecular torsion balances: evidence for favorable orthogonal dipolar interactions between organic fluorine and amide groups. Angew Chem Int Ed Engl (2007) 0.87
Property tuning in charge-transfer chromophores by systematic modulation of the spacer between donor and acceptor. Chemistry (2007) 0.87
Efficient stacking on protein amide fragments. ChemMedChem (2013) 0.87
Supramolecular [60]fullerene chemistry on surfaces. Chem Soc Rev (2006) 0.87
Conjugated oligoenynes based on the diethynylethene unit. Chem Rev (2005) 0.87
Evidence-based approach to assess passive diffusion and carrier-mediated drug transport. Drug Discov Today (2012) 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
Fluorinated glycosyl amino acids for mucin-like glycopeptide antigen analogues. Chemistry (2010) 0.85
Calculation of binding free energies of inhibitors to plasmepsin II. J Comput Chem (2011) 0.85
Synthesis of glycosylated β³-homo-threonine conjugates for mucin-like glycopeptide antigen analogues. Beilstein J Org Chem (2010) 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
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
Predicting plasma protein binding of drugs--revisited. Curr Opin Drug Discov Devel (2004) 0.84
Comparative evaluation of in silico systems for ames test mutagenicity prediction: scope and limitations. Chem Res Toxicol (2011) 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
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
Shape-persistent chiral alleno-acetylenic macrocycles and cyclophanes by acetylenic scaffolding with 1,3-diethynylallenes. Angew Chem Int Ed Engl (2005) 0.83
Permeation of permanently positive charged molecules through artificial membranes--influence of physico-chemical properties. Eur J Pharm Sci (2007) 0.83
Thiazolopyrimidine inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Mycobacterium tuberculosis and Plasmodium falciparum. ChemMedChem (2010) 0.83
Cryogenic 35GHz pulse ENDOR probehead accommodating large sample sizes: Performance and applications. J Magn Reson (2009) 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
Potent and selective inhibition of cysteine proteases from Plasmodium falciparum and Trypanosoma brucei. ChemMedChem (2010) 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
Molecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitors. Chemistry (2011) 0.82
PAMPA - excipient classification gradient map. Pharm Res (2006) 0.82
Can we discover pharmacological promiscuity early in the drug discovery process? Drug Discov Today (2012) 0.82
Acetylene-derived strong organic acceptors for planar and nonplanar push-pull chromophores. Acc Chem Res (2009) 0.82