about
P1889
o-Iodoxybenzoic acid (IBX): pKa and proton-affinity analysisIntramolecular Trapping of an Intermediate in the Reduction of Imines by a Hydroxycyclopentadienyl Ruthenium Hydride: Support for a Concerted Outer Sphere MechanismSimulating FRET from tryptophan: is the rotamer model correct?SCRF-DFT and NMR comparison of tetracycline and 5a,6-anhydrotetracycline in solution.Molecular dynamics simulation links conformation of a pore-flanking region to hyperekplexia-related dysfunction of the inhibitory glycine receptor.Stereoselective formation of trisubstituted vinyl boronate esters by the acid-mediated elimination of α-hydroxyboronate esters.Facile formation of β-hydroxyboronate esters by a Cu-catalyzed diboration/Matteson homologation sequence.Active-state models of ternary GPCR complexes: determinants of selective receptor-G-protein coupling.Active-state model of a dopamine D2 receptor-Gαi complex stabilized by aripiprazole-type partial agonists.Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.Predicting the effects of basepair mutations in DNA-protein complexes by thermodynamic integration.The hpCADD NDDO Hamiltonian: Parametrization.An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks.Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory.Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening.The relationship between threshold voltage and dipolar character of self-assembled monolayers in organic thin-film transistors.Directional Noncovalent Interactions: Repulsion and Dispersion.Amphiphilic perylene-calix[4]arene hybrids: synthesis and tunable self-assembly.Sodium effect on self-organization of amphiphilic carboxylates: formation of structured micelles and superlattices.Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ions.Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity.Formation of the Vilsmeier-Haack complex: the performance of different levels of theory.Structure-based evolution of subtype-selective neurotensin receptor ligands.Copper-catalyzed diboration of ketones: facile synthesis of tertiary alpha-hydroxyboronate esters.An improved generalized AMBER force field (GAFF) for urea.A surface-integral model for log P OW.Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests.Diarylpropane-1,3-dione derivatives as TetR-inducing tetracycline mimetics: Synthesis and biological investigations.Self-association and electron transfer in donor-acceptor dyads connected by meta-substituted oligomers.Alkoxide-catalyzed reduction of ketones with pinacolborane.Tautomers and reference 3D-structures: the orphans of in silico drug design.Ionized bicyclo[2.2.2]oct-2-ene: a twisted olefinic radical cation showing vibronic coupling.Solvation largely accounts for the effect of N-alkylation on the properties of nickel(II/I) and chromium(III/II) cyclam complexes.Excited state conformational dynamics of semiflexibly bridged electron donor-acceptor systems: a semiempirical CI-study including solvent effects.Does metal ion complexation make radical clocks run fast?The structure and stability of Si60 and Ge60 cages: a computational study.A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline.
P50
Q28303962-FE7EF1E4-76D2-4342-AA60-657848E8200DQ28468190-1C1FBC34-2B20-4CAF-A1E7-AED520F71BF8Q30353827-0BF5D841-7F2F-48C6-8373-3D2BF9BC2C01Q31081218-8DACA5A8-F108-44C7-A7B9-5C66E6CB7D50Q31121391-AE98342D-7C5D-4FCA-98FD-85B9A458D645Q33998778-755CBF5A-3C9B-45E2-82BD-6E56A18A63EDQ34661682-ADA54CD5-A38F-436A-B68B-2DA318500B23Q34796762-1533B570-4FEB-437A-881A-C0654E1A92B4Q35188726-C2E7D577-3E47-4B6C-953B-1ED73684EA69Q37249018-E0F1DD42-1CE8-4656-ACE6-0AA6F3AFD53CQ38272815-B6FFD7C3-DAFE-49C9-92AF-0FABEC521714Q38682560-92DC9A38-C9A8-413B-9EA3-D626012359E0Q38814799-5CF0E6C8-3C6F-4B7E-8722-C4C29236DC8AQ39038635-5C3F9C79-ADF1-4ABF-9E26-109A530EB5E7Q39089212-1FB2FC12-9639-44D3-8F13-8B6260A17603Q39105493-1164A436-172E-425F-8D9B-CF88667786DCQ39551490-BC43CF0C-BE78-406C-A6EB-B9BD275E2689Q39597251-8898DACA-9329-4851-AFA8-4FD5A0A174A3Q40303851-7B0E5E89-818B-43EB-B190-26A80A3426CEQ41606206-DC35A5E9-288B-4B83-8C1B-BE863F7277DAQ41618350-DED86526-D28C-462A-AC30-A5E78892E102Q41620719-9E775B4D-1354-4E9A-A8D1-482F7D786B6FQ42608736-C56BF9B6-E279-4E41-B487-EF8E5C005FE3Q42692689-CB3003D6-020B-47E5-B0DA-4BA7EA5CD811Q43009099-25E8F570-3B8A-4258-B26C-798521BE01B4Q43099676-05D153BA-175E-4AE5-84B8-F4976B741D93Q43159594-8998BEFA-F5B0-4245-B6A8-54A2DACA23F5Q43182034-83B4BBCD-5D06-4ABD-B617-372D983C3959Q43230936-B05D663E-B422-4D76-8592-DAFE5312DC7FQ43249674-1D2D4E91-B275-4ECC-8826-41A873450DB3Q43286401-F3A05488-A0CC-4312-B60C-B91FB36D634BQ43520392-6A23CF5B-D7D5-4458-9CE4-56AB27B7EC9FQ43683239-E5AA6B15-B368-4C50-BD0E-52437B1DBB2BQ43916659-2F7F707C-1A7D-4C0D-AF7D-2A523A19857EQ44008649-27297097-7387-4CC7-AE27-3264C1409EBCQ44059356-692FA7A5-6874-42D8-BB27-62C4E0720088Q44326095-4BCEF29C-1578-46CA-A7BD-ECA7BD5900BFQ44421611-BFD45513-C24D-44FD-8604-31391795D218Q44429063-E2C32C3A-BE4E-407B-BA53-70144DCE0B9FQ44687566-0474AA95-4C48-433E-A42E-A4235D492ED3
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Timothy Clark
@ast
Timothy Clark
@en
Timothy Clark
@es
Timothy Clark
@nl
Timothy Clark
@sl
type
label
Timothy Clark
@ast
Timothy Clark
@en
Timothy Clark
@es
Timothy Clark
@nl
Timothy Clark
@sl
prefLabel
Timothy Clark
@ast
Timothy Clark
@en
Timothy Clark
@es
Timothy Clark
@nl
Timothy Clark
@sl
P108
P106
P1153
35271032500
P1889
P21
P31
P496
0000-0001-7931-4659
P569
2000-01-01T00:00:00Z