NCIPLOT: a program for plotting non-covalent interaction regions. - Test2 - elhamkhani - TriplyDB

NCIPLOT: a program for plotting non-covalent interaction regions.

NCIPLOT: a program for plotting non-covalent interaction regions.

http://www.wikidata.org/entity/Q34822784

about

Relationships between Th1 or Th2 iNKT cell activity and structures of CD1d-antigen complexes: meta-analysis of CD1d-glycolipids dynamics simulations Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis Why p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B Binding The nature of inter- and intramolecular interactions in F2OXe(…)HX (X= F, Cl, Br, I) complexes The Conformational Map of Volatile Anesthetics: Enflurane Revisited.Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions.Charge density analysis for crystal engineering.Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect Experimental and theoretical investigations of the self-association of oxaliplatin.Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation Visualization of weak interactions between quantum dot and graphene in hybrid materials Intramolecular OH···π interactions in alkenols and alkynols.Highly selective mercury(II) cations detection in mixed-aqueous media by a ferrocene-based fluorescent receptor.Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM Calculations Multifunctional Benzothiadiazole-Based Small Molecules Displaying Solvatochromism and Sensing Properties toward Nitroarenes, Anions, and Cations.Intra-residue interactions in proteins: interplay between serine or cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides.An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies.A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations.Influence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy, and Cellular Biology.Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions.Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathways.Noncovalent Interaction Analysis in Fluctuating Environments Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions.Chiral sulfinamide/achiral sulfonic acid cocatalyzed enantioselective protonation of enol silanes Novel electrochemical route to cleaner fuel dimethyl ether.London dispersion in molecular chemistry--reconsidering steric effects.Effects of the CO₂ Guest Molecule on the sI Clathrate Hydrate Structure.Dissection of H-bonding interactions in a glycolic acid-water dimer.Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density.Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease.Computing organic stereoselectivity - from concepts to quantitative calculations and predictions.The Cation-π Interaction in Small-Molecule Catalysis.On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications.Brønsted Acid Catalysis-Structural Preferences and Mobility in Imine/Phosphoric Acid Complexes.Theoretical analysis of the intermolecular interactions in naphthalene diimide and pyrene complexes.A new turn in codon-anticodon selection through halogen bonds.

P2860

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P2860

NCIPLOT: a program for plotting non-covalent interaction regions.

http://www.wikidata.org/entity/Q34822784

description

2011 nî lūn-bûn

@nan

2011 թուականի Մարտին հրատարակուած գիտական յօդուած

@hyw

2011 թվականի մարտին հրատարակված գիտական հոդված

@hy

2011年の論文

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2011年論文

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2011年論文

@zh-hant

2011年論文

@zh-hk

2011年論文

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2011年論文

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2011年论文

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name

NCIPLOT: a program for plotting non-covalent interaction regions.

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NCIPLOT: a program for plotting non-covalent interaction regions.

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NCIPLOT: a program for plotting non-covalent interaction regions.

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type

label

NCIPLOT: a program for plotting non-covalent interaction regions.

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NCIPLOT: a program for plotting non-covalent interaction regions.

@en

NCIPLOT: a program for plotting non-covalent interaction regions.

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prefLabel

NCIPLOT: a program for plotting non-covalent interaction regions.

@ast

NCIPLOT: a program for plotting non-covalent interaction regions.

@en

NCIPLOT: a program for plotting non-covalent interaction regions.

@nl

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P1433

Journal of Chemical Theory and Computation

P1476

NCIPLOT: a program for plotting non-covalent interaction regions.

@en

P2093

Erin R Johnson

http://www.w3.org/2001/XMLSchema#string

Jean-Philip Piquemal

http://www.w3.org/2001/XMLSchema#string

Robin Chaudret

http://www.w3.org/2001/XMLSchema#string

Weitao Yang

http://www.w3.org/2001/XMLSchema#string

P2860

Substrate binding to histone deacetylases as shown by the crystal structure of the HDAC8-substrate complex

Dominant forces in protein folding

Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals

Complexation of ferrocene derivatives by the cucurbit[7]uril host: a comparative study of the cucurbituril and cyclodextrin host families.

Revealing noncovalent interactions

Interfaces and the driving force of hydrophobic assembly.

The cucurbit[n]uril family: prime components for self-sorting systems.

A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation

Host-guest complexes with protein-ligand-like affinities: computational analysis and design

Protein folding in membranes.

P304

625-632

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scholarly article

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10.1021/CT100641A

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3

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7

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David N Beratan

Julia Contreras-García

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2011-03-01T00:00:00Z

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228844607

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21516178

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3080048

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