about
Functional asymmetry in the lysyl-tRNA synthetase explored by molecular dynamics, free energy calculations and experimentLipid14: The Amber Lipid Force Field.Glyoxylate as a backbone linkage for a prebiotic ancestor of RNA.Biological and biomedical applications of two-dimensional vibrational spectroscopy: proteomics, imaging, and structural analysis.Molecular dynamics studies on the DNA-binding process of ERG.A theoretical investigation of inositol 1,3,4,5-tetrakisphosphate.Simulation of lipid bilayer self-assembly using all-atom lipid force fields.A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field.All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields.Detection of complex formation and determination of intermolecular geometry through electrical anharmonic coupling of molecular vibrations using electron-vibration-vibration two-dimensional infrared spectroscopy.Further evaluation of quantum chemical methods for the prediction of non-specific binding of positron emission tomography tracers.Assessment of standard force field models against high-quality ab initio potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions.Ab initio computational study of positron emission tomography ligands interacting with lipid molecule for the prediction of nonspecific binding.A combined QM and MM investigation into guanine quadruplexes.Molecular dynamics simulations of LysRS: an asymmetric state.Optical fingerprinting of peptides using two-dimensional infrared spectroscopy: proof of principle.Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methods.Structure and dynamics of phospholipid bilayers using recently developed general all-atom force fields.Imaging plasma membrane phase behaviour in live cells using a thiophene-based molecular rotor.Troponin structure: its modulation by Ca(2+) and phosphorylation studied by molecular dynamics simulations.Comparing experimental and computational alanine scanning techniques for probing a prototypical protein–protein interactionImaging phase separation in model lipid membranes through the use of BODIPY based molecular rotorsA computational study of Anthracyclines interacting with lipid bilayers: Correlation of membrane insertion rates, orientation effects and localisation with cytotoxicityComparison of basis set effects and the performance of ab initio and DFT methods for probing equilibrium fluctuationsEffect of adiabaticity on electron dynamics in zinc myoglobinCorrelated ab initio quantum chemical calculations of di- and trisaccharide conformationsUnderstanding the relative affinity and specificity of the pleckstrin homology domain of protein kinase B for inositol phosphatesMechanism of Photoinduced Triplet Intermolecular Hydrogen Transfer between Cycloxydim and Chlorothalonil
P50
Q24806141-C2E92740-2D7D-4D5C-8C35-71B95B980BBFQ30362297-D3102043-347F-4F09-869D-61718BBEBA4CQ31027298-F79E040E-99C6-4BF4-BDDB-04893EAE90F2Q37528409-539953C4-48FC-4561-9979-F52ECF124435Q39314408-A7FEBCD8-B5D5-42B1-8EAB-297B2E924A0AQ39817274-04A5812C-F364-46A0-AB08-FF36ACD2BB2DQ39872271-70D69E0B-931C-4FBD-B49D-D8AD9CF29A39Q41572040-1EE63AFB-4FCF-49A4-92C0-B82E2FCFC121Q41605354-89077935-0D7C-44FB-9386-A8B288D3831BQ43272722-9AD6C5E2-A705-4F14-8C49-2239B114251FQ44687128-40A8EFEF-5310-432E-8E0C-B2C23A325DD9Q46109404-891D0005-B29F-4793-821A-B3277A5DE1F7Q46124054-BD83D26C-B1C7-45E9-8FAC-48E466E67610Q46708111-05172180-9372-40BE-BCD5-81BDCAAD7865Q46827745-4F5EB52C-CF6D-4466-9D50-C7E6D66E13CBQ46863574-AFBFC504-F5B4-4459-9746-A9C634954F15Q46934123-066CD344-59CE-4D27-84FA-A2A4AAC1DE88Q46971391-DB13C571-C5BC-48BE-9BBC-E3EB5857138EQ48251383-6B5710BB-B8FA-4766-80DA-A417A0D24189Q51643526-8193ADFC-C432-4F3E-BE25-8EB849F58F98Q57564173-C4D4B7DD-D2C4-457F-8079-E159FD933852Q59576277-F3EA01EF-3676-41C4-9FF8-F6DCF3ED8DACQ61795933-1F079A00-F936-4C5D-80A4-A4CA5B328DCEQ79448906-C64E96A6-56AC-4794-ADA8-FD9A8EB0866BQ79936672-4794ED41-ECFE-4D60-B6B4-F62D21E14304Q80152956-65A0B6FD-D6E5-4E11-93F0-749E07E32F1DQ82700393-B68580F5-06FC-47D9-90F5-90398BE5F7F4Q88369604-86983E4B-EE19-46CB-8B96-260D750DF392
P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Ian R Gould
@ast
Ian R Gould
@en
Ian R Gould
@es
Ian R Gould
@nl
type
label
Ian R Gould
@ast
Ian R Gould
@en
Ian R Gould
@es
Ian R Gould
@nl
prefLabel
Ian R Gould
@ast
Ian R Gould
@en
Ian R Gould
@es
Ian R Gould
@nl
P106
P2456
P31
P496
0000-0003-3559-0234