Published in J Med Chem on December 01, 2005
Structures of Mycobacterium tuberculosis folylpolyglutamate synthase complexed with ADP and AMPPCP. Acta Crystallogr D Biol Crystallogr (2008) 0.89
Concentration-dependent processivity of multiple glutamate ligations catalyzed by folylpoly-gamma-glutamate synthetase. Biochemistry (2008) 0.81
Binding MOAD (Mother Of All Databases). Proteins (2005) 2.40
Development of polyphosphate parameters for use with the AMBER force field. J Comput Chem (2003) 2.33
Binding MOAD, a high-quality protein-ligand database. Nucleic Acids Res (2007) 1.99
Chemical screens against a reconstituted multiprotein complex: myricetin blocks DnaJ regulation of DnaK through an allosteric mechanism. Chem Biol (2011) 1.89
CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. J Chem Inf Model (2011) 1.61
Exploring experimental sources of multiple protein conformations in structure-based drug design. J Am Chem Soc (2007) 1.52
Gaussian-weighted RMSD superposition of proteins: a structural comparison for flexible proteins and predicted protein structures. Biophys J (2006) 1.45
CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. J Chem Inf Model (2011) 1.42
Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models. J Am Chem Soc (2007) 1.28
Binding of a small molecule at a protein-protein interface regulates the chaperone activity of hsp70-hsp40. ACS Chem Biol (2010) 1.28
Full protein flexibility is essential for proper hot-spot mapping. J Am Chem Soc (2010) 1.17
CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric series. J Chem Inf Model (2013) 1.17
Solvation influences flap collapse in HIV-1 protease. Proteins (2005) 1.16
Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case. J Am Chem Soc (2004) 1.15
Mutagenesis reveals the complex relationships between ATPase rate and the chaperone activities of Escherichia coli heat shock protein 70 (Hsp70/DnaK). J Biol Chem (2010) 1.15
Computational studies and peptidomimetic design for the human p53-MDM2 complex. Proteins (2005) 1.10
A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket. Biopolymers (2008) 1.10
Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system. J Am Chem Soc (2007) 1.09
CSAR data set release 2012: ligands, affinities, complexes, and docking decoys. J Chem Inf Model (2013) 1.02
Exploring protein-ligand recognition with Binding MOAD. J Mol Graph Model (2005) 1.00
Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery. J Chem Inf Model (2007) 0.98
Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models. J Med Chem (2006) 0.97
Protein flexibility in docking and surface mapping. Q Rev Biophys (2012) 0.96
Novel deletion of lysine 7 expands the clinical, histopathological and genetic spectrum of TPM2-related myopathies. Brain (2013) 0.93
Exploring the composition of protein-ligand binding sites on a large scale. PLoS Comput Biol (2013) 0.90
Improving protocols for protein mapping through proper comparison to crystallography data. J Chem Inf Model (2013) 0.86
Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease. Proteins (2009) 0.85
Conformational behavior of beta-proline oligomers. J Am Chem Soc (2003) 0.83
An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases. J Med Chem (2014) 0.82
Computational methods for predicting sites of functionally important dynamics. J Phys Chem B (2009) 0.82
Chemical probes that selectively recognize the earliest Aβ oligomers in complex mixtures. J Am Chem Soc (2010) 0.82
The role of tyrosine 71 in modulating the flap conformations of BACE1. Proteins (2011) 0.81
Computational methods for identifying a layered allosteric regulatory mechanism for ALS-causing mutations of Cu-Zn superoxide dismutase 1. Proteins (2011) 0.81
Secondary structural preferences of 2,2-disubstituted pyrrolidine-4-carboxylic acid oligomers: beta-peptide foldamers that cannot form internal hydrogen bonds. J Am Chem Soc (2003) 0.81
Parameter choice matters: validating probe parameters for use in mixed-solvent simulations. J Chem Inf Model (2014) 0.80
The role of aspartic acid 143 in E. coli tRNA-guanine transglycosylase: insights from mutagenesis studies and computational modeling. Biophys J (2005) 0.80
Biophysical limits of protein-ligand binding. J Chem Inf Model (2012) 0.79
Binding to the open conformation of HIV-1 protease. Proteins (2011) 0.79
A call to arms: what you can do for computational drug discovery. J Chem Inf Model (2011) 0.78
Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design. J Comput Aided Mol Des (2008) 0.78
Quantum mechanical models of the resting state of the vanadium-dependent haloperoxidase. Inorg Chem (2004) 0.77
Identification of key hinge residues important for nucleotide-dependent allostery in E. coli Hsp70/DnaK. PLoS Comput Biol (2013) 0.76
Overcoming sequence misalignments with weighted structural superposition. Proteins (2012) 0.75
The 12-minute journey. Narrat Inq Bioeth (2014) 0.75