PubRank

James M Briggs

Author PubWeight™ 33.40‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Conformationally constrained peptidomimetic inhibitors of signal transducer and activator of transcription. 3: Evaluation and molecular modeling. J Med Chem 2009 1.28
2 Charge-charge interactions are key determinants of the pK values of ionizable groups in ribonuclease Sa (pI=3.5) and a basic variant (pI=10.2). J Mol Biol 2003 1.26
3 Molecular dissection of a critical specificity determinant within the amino acid editing domain of leucyl-tRNA synthetase. Biochemistry 2004 1.11
4 The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site. Biochemistry 2005 1.11
5 Large-scale conformational dynamics of the HIV-1 integrase core domain and its catalytic loop mutants. Biophys J 2005 1.04
6 Prediction of HIV-1 integrase/viral DNA interactions in the catalytic domain by fast molecular docking. J Med Chem 2004 1.04
7 Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels. J Mol Biol 2002 1.02
8 Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels. Biophys J 2002 1.00
9 Electrostatic steering at acetylcholine binding sites. Biophys J 2006 0.94
10 Computed pore potentials of the nicotinic acetylcholine receptor. Biophys J 2006 0.89
11 Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 2005 0.89
12 Nucleotide modification at the gamma-phosphate leads to the improved fidelity of HIV-1 reverse transcriptase. Nucleic Acids Res 2005 0.89
13 Comparison of multiple molecular dynamics trajectories calculated for the drug-resistant HIV-1 integrase T66I/M154I catalytic domain. Biophys J 2005 0.88
14 A structure-based design approach for the identification of novel inhibitors: application to an alanine racemase. J Comput Aided Mol Des 2002 0.88
15 Molecular modeling study of the editing active site of Escherichia coli leucyl-tRNA synthetase: two amino acid binding sites in the editing domain. Proteins 2004 0.87
16 pK values of histidine residues in ribonuclease Sa: effect of salt and net charge. J Mol Biol 2003 0.86
17 Comparative molecular dynamics simulations of HIV-1 integrase and the T66I/M154I mutant: binding modes and drug resistance to a diketo acid inhibitor. Proteins 2005 0.85
18 Molecular dynamics studies of the wild-type and double mutant HIV-1 integrase complexed with the 5CITEP inhibitor: mechanism for inhibition and drug resistance. Biophys J 2003 0.84
19 The association between a negatively charged ligand and the electronegative binding pocket of its receptor. Biopolymers 2002 0.84
20 Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A. J Med Chem 2002 0.84
21 Dynamic pharmacophore model optimization: identification of novel HIV-1 integrase inhibitors. J Med Chem 2006 0.83
22 Dopamine D1 receptor agonist and D2 receptor antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulations. Biophys J 2007 0.83
23 HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors. Bioorg Med Chem Lett 2004 0.82
24 Molecular dynamics studies of alanine racemase: a structural model for drug design. Biopolymers 2003 0.82
25 Modulation of substrate specificity within the amino acid editing site of leucyl-tRNA synthetase. Biochemistry 2007 0.81
26 Peptide inhibitors disrupt the serotonin 5-HT2C receptor interaction with phosphatase and tensin homolog to allosterically modulate cellular signaling and behavior. J Neurosci 2013 0.81
27 Cluster analysis of water molecules in alanine racemase and their putative structural role. Protein Eng Des Sel 2004 0.81
28 Mechanistic role of NS4A and substrate in the activation of HCV NS3 protease. Proteins 2011 0.80
29 Computational insights into the interaction of the anthrax lethal factor with the N-terminal region of its substrates. Proteins 2009 0.80
30 Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes. Biophys J 2007 0.77
31 Charge-charge interactions are the primary determinants of the pK values of the ionizable groups in Ribonuclease T1. Biophys Chem 2002 0.77
32 Interactions of acetylcholine binding site residues contributing to nicotinic acetylcholine receptor gating: role of residues Y93, Y190, K145 and D200. J Mol Graph Model 2013 0.77
33 Pharmacophore-based virtual screening to aid in the identification of unknown protein function. Chem Biol Drug Des 2012 0.76
34 Nucleophile activation in PD...(D/E)xK metallonucleases: an experimental and computational pK(a) study. J Inorg Biochem 2010 0.76
35 Associations between the Rho kinase-1 catalytic and PH domain regulatory unit. J Mol Graph Model 2013 0.76
36 New insights into the binding and catalytic mechanisms of Bacillus thuringiensis lactonase: insights into B. thuringiensis AiiA mechanism. PLoS One 2013 0.75
37 Efficient 3D database screening for novel HIV-1 IN inhibitors. J Chem Inf Comput Sci 2004 0.75
38 Molecular dynamics simulations of Factor Xa: insight into conformational transition of its binding subsites. Biopolymers 2008 0.75
39 Molecular modeling of enzyme attachment on AFM probes. J Mol Graph Model 2013 0.75
40 Biophysical characteristics of cholera toxin and Escherichia coli heat-labile enterotoxin structure and chemistry lead to differential toxicity. J Phys Chem B 2014 0.75
41 Cluster analysis of hydration waters around the active sites of bacterial alanine racemase using a 2-ns MD simulation. Biopolymers 2008 0.75