Published in ChemMedChem on September 06, 2011
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53. J Am Chem Soc (2012) 1.50
The Halogen Bond. Chem Rev (2016) 1.50
Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches. PLoS Negl Trop Dis (2015) 1.41
Using halogen bonds to address the protein backbone: a systematic evaluation. J Comput Aided Mol Des (2012) 1.15
Halogen bonding (X-bonding): a biological perspective. Protein Sci (2012) 1.05
Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition. J Comput Aided Mol Des (2014) 0.78
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions. J Mol Model (2015) 0.77
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
A medicinal chemist's guide to molecular interactions. J Med Chem (2010) 3.39
Fluorine in medicinal chemistry. Chembiochem (2004) 3.25
Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose. Proc Natl Acad Sci U S A (2011) 2.65
Aromatic rings in chemical and biological recognition: energetics and structures. Angew Chem Int Ed Engl (2011) 2.48
Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis. J Chem Inf Model (2008) 2.04
Insight into steroid scaffold formation from the structure of human oxidosqualene cyclase. Nature (2004) 1.86
The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment. Structure (2006) 1.60
Radially expanding transglial calcium waves in the intact cerebellum. Proc Natl Acad Sci U S A (2009) 1.58
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
Structural basis for ligand recognition and activation of RAGE. Structure (2010) 1.50
Predicting and tuning physicochemical properties in lead optimization: amine basicities. ChemMedChem (2007) 1.48
Host sphingolipid biosynthesis as a target for hepatitis C virus therapy. Nat Chem Biol (2005) 1.47
Functional map and domain structure of MET, the product of the c-met protooncogene and receptor for hepatocyte growth factor/scatter factor. Proc Natl Acad Sci U S A (2003) 1.42
Structure of the acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun (2012) 1.41
The pleasure and importance of printed journals. Nature (2009) 1.39
Gantenerumab: a novel human anti-Aβ antibody demonstrates sustained cerebral amyloid-β binding and elicits cell-mediated removal of human amyloid-β. J Alzheimers Dis (2012) 1.39
Modulating cholesteryl ester transfer protein activity maintains efficient pre-β-HDL formation and increases reverse cholesterol transport. J Lipid Res (2010) 1.38
The advantages of using a modified microbatch method for rapid screening of protein crystallization conditions. Acta Crystallogr D Biol Crystallogr (2003) 1.35
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 basis of proline-specific exopeptidase activity as observed in human dipeptidyl peptidase-IV. Structure (2003) 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
ANNINE-6plus, a voltage-sensitive dye with good solubility, strong membrane binding and high sensitivity. Eur Biophys J (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
Chemokine receptor 4 plays a key role in T cell recruitment into the airways of asthmatic patients. J Immunol (2010) 1.14
A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro. Mol Endocrinol (2005) 1.11
Two (betaalpha)(8)-barrel enzymes of histidine and tryptophan biosynthesis have similar reaction mechanisms and common strategies for protecting their labile substrates. Biochemistry (2002) 1.09
Steroids in Molecular Recognition. Chem Rev (1997) 1.09
An orally active chemokine receptor CCR2 antagonist prevents glomerulosclerosis and renal failure in type 2 diabetes. Kidney Int (2011) 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
Fluorescence-based monitoring of in vivo neural activity using a circuit-tracing pseudorabies virus. PLoS One (2009) 1.06
Design and synthesis of novel benzofurans as a new class of antifungal agents targeting fungal N-myristoyltransferase. Part 2. Bioorg Med Chem Lett (2002) 1.05
Design and synthesis of novel benzofurans as a new class of antifungal agents targeting fungal N-myristoyltransferase. Part 3. Bioorg Med Chem Lett (2003) 1.04
Synthesis and biological activities of benzofuran antifungal agents targeting fungal N-myristoyltransferase. Bioorg Med Chem (2003) 1.03
Crystal structure of ultralente--a microcrystalline insulin suspension. Proteins (2009) 1.01
Structural and biophysical characterization of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers. Bioconjug Chem (2005) 1.00
In vitro activity of isavuconazole against 140 reference fungal strains and 165 clinically isolated yeasts from Japan. Int J Antimicrob Agents (2010) 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
Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening. J Mol Biol (2010) 0.98
Crystal structures of Candida albicans N-myristoyltransferase with two distinct inhibitors. Chem Biol (2002) 0.98
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
The structure of human α-2,6-sialyltransferase reveals the binding mode of complex glycans. Acta Crystallogr D Biol Crystallogr (2013) 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
Structural model of MalK, the ABC subunit of the maltose transporter of Escherichia coli: implications for mal gene regulation, inducer exclusion, and subunit assembly. J Biol Chem (2001) 0.95
β-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease. J Med Chem (2013) 0.95
Molecular switch in the glucocorticoid receptor: active and passive antagonist conformations. J Mol Biol (2009) 0.95
Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit. Eur J Med Chem (2009) 0.94
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