Published in ACS Chem Biol on October 01, 2015
Synthesis and pre-clinical evaluation of a new class of high-affinity (18)F-labeled PSMA ligands for detection of prostate cancer by PET imaging. Eur J Nucl Med Mol Imaging (2016) 0.78
Features and development of Coot. Acta Crystallogr D Biol Crystallogr (2010) 89.46
XDS. Acta Crystallogr D Biol Crystallogr (2010) 67.46
Scaling and assessment of data quality. Acta Crystallogr D Biol Crystallogr (2005) 61.38
PHENIX: building new software for automated crystallographic structure determination. Acta Crystallogr D Biol Crystallogr (2002) 53.61
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem Phys (2010) 11.76
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. Phys Chem Chem Phys (2005) 7.19
Halogen bonds in biological molecules. Proc Natl Acad Sci U S A (2004) 7.19
Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity. Cancer Cell (2007) 5.95
Awakening guardian angels: drugging the p53 pathway. Nat Rev Cancer (2009) 5.12
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J Mol Biol (1995) 4.95
Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005. J Mol Model (2006) 4.28
Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids. Phys Rev Lett (2003) 3.63
A novel approach in the treatment of cancer: targeting the epidermal growth factor receptor. Clin Cancer Res (2001) 3.55
Principles and applications of halogen bonding in medicinal chemistry and chemical biology. J Med Chem (2013) 3.48
A medicinal chemist's guide to molecular interactions. J Med Chem (2010) 3.39
Structural basis for understanding oncogenic p53 mutations and designing rescue drugs. Proc Natl Acad Sci U S A (2006) 3.35
Synopsis of some recent tactical application of bioisosteres in drug design. J Med Chem (2011) 3.31
Bioisosterism: A Rational Approach in Drug Design. Chem Rev (1996) 2.44
Targeted rescue of a destabilized mutant of p53 by an in silico screened drug. Proc Natl Acad Sci U S A (2008) 2.30
Halogen bonding and other σ-hole interactions: a perspective. Phys Chem Chem Phys (2013) 2.07
The tumor suppressor p53: from structures to drug discovery. Cold Spring Harb Perspect Biol (2010) 1.64
Halogen bonds as orthogonal molecular interactions to hydrogen bonds. Nat Chem (2009) 1.56
Systematic investigation of halogen bonding in protein-ligand interactions. Angew Chem Int Ed Engl (2011) 1.54
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53. J Am Chem Soc (2012) 1.50
Halogen bonding in halocarbon-protein complexes: a structural survey. Chem Soc Rev (2011) 1.37
1,4-Benzodiazepine-2,5-diones as small molecule antagonists of the HDM2-p53 interaction: discovery and SAR. Bioorg Med Chem Lett (2005) 1.32
Low-affinity binding determined by titration calorimetry using a high-affinity coupling ligand: a thermodynamic study of ligand binding to protein tyrosine phosphatase 1B. Anal Biochem (1998) 1.21
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition. Proc Natl Acad Sci U S A (2012) 1.21
Using halogen bonds to address the protein backbone: a systematic evaluation. J Comput Aided Mol Des (2012) 1.15
Erlotinib binds both inactive and active conformations of the EGFR tyrosine kinase domain. Biochem J (2012) 0.95
Modulation of aldose reductase inhibition by halogen bond tuning. ACS Chem Biol (2013) 0.84
Fancy bioisosteres: synthesis, SAR, and pharmacological investigations of novel nonaromatic dopamine D3 receptor ligands. Bioorg Med Chem (2005) 0.82
Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore. J Chem Inf Model (2015) 0.82
Addressing Methionine in Molecular Design through Directed Sulfur-Halogen Bonds. J Chem Theory Comput (2011) 0.82
Fancy bioisosteres: synthesis and dopaminergic properties of the endiyne FAUC 88 as a novel non-aromatic D3 agonist. Bioorg Med Chem (2005) 0.80
Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery. Future Med Chem (2014) 0.80
The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition. ACS Chem Biol (2015) 0.77
Data quality in drug discovery: the role of analytical performance in ligand binding assays. J Comput Aided Mol Des (2015) 0.76
Targeting histidine side chains in molecular design through nitrogen-halogen bonds. J Chem Inf Model (2013) 0.76