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Conformational dynamics of dry lamellar crystals of sugar based lipids: an atomistic simulation studyNovel inhibitors of NRH:quinone oxidoreductase 2 (NQO2): crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-onesEffect of sequence and stereochemistry reversal on p53 peptide mimicryExciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors.Tryptophan as a molecular shovel in the glycosyl transfer activity of Trypanosoma cruzi trans-sialidase.Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.Protein tyrosine phosphatases: Ligand interaction analysis and optimisation of virtual screening.Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics.Analysis of Enoyl-Acyl Carrier Protein Reductase Structure and Interactions Yields an Efficient Virtual Screening Approach and Suggests a Potential Allosteric Site.Molecular probes: insights into design and analysis from computational and physical chemistry.Rational drug design in parasitology: trans-sialidase as a case study for Chagas disease.Difluoro analogue of UCS15A triggers activation of exogenously expressed c-Src in HCT 116 human colorectal carcinoma cells.Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.Metabolic fate of 3α,5-cycloandrostanes in the endogenous lactonization pathway of Aspergillus tamarii KITA.Non-symmetrical furan-amidines as novel leads for the treatment of cancer and malaria.Src family kinase inhibitor Saracatinib (AZD0530) impairs oxaliplatin uptake in colorectal cancer cells and blocks organic cation transporters.Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.Molecular dynamics and free energy analysis of neuraminidase-ligand interactions.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate-aromatic interactions.The effects of perfluorination on carbohydrate-pi interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrin.Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.Ask the experts: focus on computational chemistry.Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase.Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening.Aminoimidazolylmethyluracil analogues as potent inhibitors of thymidine phosphorylase and their bioreductive nitroimidazolyl prodrugs.Assessment of QM/MM scoring functions for molecular docking to HIV-1 protease.Boron-Based Inhibitors of the NLRP3 Inflammasome.Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening.Non-enzymatic recombination of RNA: Ligation in loops.Fluorescent probe: complexation of Fe3+ with the myo-inositol 1,2,3-trisphosphate motif.In silico screening and biological evaluation of inhibitors of Src-SH3 domain interaction with a proline-rich ligand.Molecular dynamics simulation of monoalkyl glycoside micelles in aqueous solution: influence of carbohydrate headgroup stereochemistry.Comparative Molecular Dynamics Simulation of Aggregating and Non-Aggregating Inhibitor Solutions: Understanding the Molecular Basis of Promiscuity.Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics.Molecular dynamics study of chemically engineered green fluorescent protein mutants: comparison of intramolecular fluorescence resonance energy transfer rate.Molecular Dynamics of Cellulose Amphiphilicity at the Graphene-Water Interface.Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside.Evaluation of analogues of furan-amidines as inhibitors of NQO2.miRNases: Novel peptide-oligonucleotide bioconjugates that silence miR-21 in lymphosarcoma cells.
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Richard Bryce
@ast
Richard Bryce
@en
Richard Bryce
@es
Richard Bryce
@nl
Richard Bryce
@sl
type
label
Richard Bryce
@ast
Richard Bryce
@en
Richard Bryce
@es
Richard Bryce
@nl
Richard Bryce
@sl
prefLabel
Richard Bryce
@ast
Richard Bryce
@en
Richard Bryce
@es
Richard Bryce
@nl
Richard Bryce
@sl
P1053
F-9955-2015
P106
P1153
7006481959
P21
P2456
P31
P3829
P496
0000-0002-8145-2345