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Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel.Nucleotide modification at the gamma-phosphate leads to the improved fidelity of HIV-1 reverse transcriptase.The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active siteStructural mutation analysis of PTEN and its genotype-phenotype correlations in endometriosis and cancerpK values of histidine residues in ribonuclease Sa: effect of salt and net charge.Comparison of multiple molecular dynamics trajectories calculated for the drug-resistant HIV-1 integrase T66I/M154I catalytic domain.Large-scale conformational dynamics of the HIV-1 integrase core domain and its catalytic loop mutantsElectrostatic steering at acetylcholine binding sitesMolecular modeling of enzyme attachment on AFM probes.New insights into the binding and catalytic mechanisms of Bacillus thuringiensis lactonase: insights into B. thuringiensis AiiA mechanism.Gain of glucose-independent growth upon metastasis of breast cancer cells to the brainHybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes.Inhibition of Cholera Toxin and Other AB Toxins by Polyphenolic Compounds.Peptide inhibitors disrupt the serotonin 5-HT2C receptor interaction with phosphatase and tensin homolog to allosterically modulate cellular signaling and behavior.Conformationally constrained peptidomimetic inhibitors of signal transducer and activator of transcription. 3: Evaluation and molecular modeling.Functional Implications of the spectrum of BCL2 mutations in Lymphoma.Structure-based drug design: computational advances.Protein-protein diffusional encounter.Conservative and nonconservative mutations in proteins: anomalous mutations in a transport receptor analyzed by free energy and quantum chemical calculations.Internal dynamics and ionization states of the macrophage migration inhibitory factor: comparison between wild-type and mutant forms.Associations between the Rho kinase-1 catalytic and PH domain regulatory unit.A structure-based design approach for the identification of novel inhibitors: application to an alanine racemase.Biophysical characteristics of cholera toxin and Escherichia coli heat-labile enterotoxin structure and chemistry lead to differential toxicity.Molecular dynamics studies of alanine racemase: a structural model for drug design.Efficient 3D database screening for novel HIV-1 IN inhibitors.Prediction of HIV-1 integrase/viral DNA interactions in the catalytic domain by fast molecular docking.Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations.Discovery of HIV-1 integrase inhibitors through a novel combination of ligand and structure-based drug design.Computational insights into the interaction of the anthrax lethal factor with the N-terminal region of its substrates.Dynamic pharmacophore model optimization: identification of novel HIV-1 integrase inhibitors.Targeted reduction of the EGFR protein, but not inhibition of its kinase activity, induces mitophagy and death of cancer cells through activation of mTORC2 and Akt.HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors.Interactions of acetylcholine binding site residues contributing to nicotinic acetylcholine receptor gating: role of residues Y93, Y190, K145 and D200.A single-residue mutation destabilizes Vibrio harveyi flavin reductase FRP dimer.Comparative molecular field analysis (coMFA) study of epothilones-tubulin depolymerization inhibitors: pharmacophore development using 3D QSAR methods.Comparative molecular dynamics simulations of HIV-1 integrase and the T66I/M154I mutant: binding modes and drug resistance to a diketo acid inhibitor.Simulation of enzyme–substrate encounter with gated active sitesImmobilization and unbinding investigation of the antigen-antibody complex using theoretical and experimental techniquesBinding of tacrine and 6-chlorotacrine by acetylcholinesteraseSimilarities in the HIV-1 and ASV integrase active sites upon metal cofactor binding
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description
researcher ORCID ID = 0000-0001-5863-8945
@en
wetenschapper
@nl
name
James M Briggs
@ast
James M Briggs
@en
James M Briggs
@nl
type
label
James M Briggs
@ast
James M Briggs
@en
James M Briggs
@nl
prefLabel
James M Briggs
@ast
James M Briggs
@en
James M Briggs
@nl
P31
P496
0000-0001-5863-8945