Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
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Crystal Structures of Two Aminoglycoside Kinases Bound with a Eukaryotic Protein Kinase InhibitorMolecular modeling of nucleic acid structure: energy and samplingDrug design for ever, from hype to hopeStabilization of Large Adsorbates by Rotational Entropy: A Time-Resolved Variable-Temperature STM StudyPhase transition behavior and molecular structures of monounsaturated phosphatidylcholines. Calorimetric studies and molecular mechanics simulations.Solution structure of hyaluronic acid oligomers by experimental and theoretical NMR, and molecular dynamics simulation.Ferrocene-containing carbohydrate dendrimers.Interpretation of biological activity data of bacterial endotoxins by simple molecular models of mechanism of action.Investigation of anti-infection mechanism of lactoferricin and splunc-1.Crystal structure and stereochemistry study of 2-substituted benzoxazole derivativesFinding inhibitors of mutant superoxide dismutase-1 for amyotrophic lateral sclerosis therapy from traditional chinese medicine.(Z)-3-Methyl-N-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data.Terpenoids from the octocorals Menella sp. (Plexauridae) and Lobophytum crassum (Alcyonacea).Structure determination of fexofenadine-α-cyclodextrin complex by quantitative 2D ROESY analysis and molecular mechanics studies.Carbohydrate force fieldsDesign and exploratory data analysis of a second generation of dendrimer prodrugs potentially antichagasic and leishmanicide.Computational ligand-based rational design: Role of conformational sampling and force fields in model development.Briarenolides K and L, new anti-inflammatory briarane diterpenoids from an octocoral Briareum sp. (Briareidae).Norcembranoidal diterpenes from the cultured-type octocoral Sinularia numerosa.Novel recovery of nano-structured ceria (CeO(2)) from Ce(III)-benzoxazine dimer complexes via thermal decomposition.Lobocrassins A-E: new cembrane-type diterpenoids from the soft coral Lobophytum crassum.Menelloides C and D, new sesquiterpenoids from the Gorgonian coral Menella sp.New cembranoid diterpenes from the cultured octocoral Nephthea columnaris.Design, Synthesis, and Antimycobacterial Activity of Novel Theophylline-7-Acetic Acid Derivatives With Amino Acid Moieties.Briarenolides U-Y, New Anti-Inflammatory Briarane Diterpenoids from an Octocoral Briareum sp. (Briareidae)Wine Compounds as a Source for HTS Screening Collections. A Feasibility Study.Bioactive compounds from a gorgonian coral Echinomuricea sp. (Plexauridae).Briarenolides F and G, new briarane diterpenoids from a Briareum sp. octocoral.Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine.Molecular docking studies on InhA, MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia nudiflora.NMR structure and function of Helicoverpa armigera sterol carrier protein-2, an important insecticidal target from the cotton bollworm.Echinohalimane A, a bioactive halimane-type diterpenoid from a Formosan gorgonian Echinomuricea sp. (Plexauridae).Characterization of evolutionary changes in hemagglutinin of influenza H1N1 virus: a computational analysis.Cryoprotection with L- and meso-trehalose: stereochemical implications.NMR spectroscopy and molecular modelling studies of nitrosylcobalamin: further evidence that the deprotonated, base-off form is important for nitrosylcobalamin in solution.Discovery of novel diterpenoids from Sinularia arborea.Perfluoroalkyl sulfonic and carboxylic acids: a critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods.Empirical hydrogen-bond potential functions--an old hat reconditioned.Theoretical and computational studies of dendrimers as delivery vectors.Advances in the total synthesis of biologically important callipeltosides: a review.
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Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
description
article
@en
im Dezember 1977 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в грудні 1977
@uk
ലേഖനം
@ml
name
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@en
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@nl
type
label
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@en
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@nl
prefLabel
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@en
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@nl
P356
P1476
Conformational analysis. 130. ...... zing V1 and V2 torsional terms
@en
P2093
Norman L. Allinger
P304
P356
10.1021/JA00467A001
P407
P577
1977-12-01T00:00:00Z