Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.

Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.

Item
http://www.wikidata.org/entity/Q35202159
Contributions of charge-density research to medicinal chemistry.A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsion.Whether 2-aminopurine induces incorporation errors at the DNA replication? A quantum-mechanical answer on the actual biological issue.A novel conception for spontaneous transversions caused by homo-pyrimidine DNA mismatches: a QM/QTAIM highlight.How many tautomerization pathways connect Watson-Crick-like G*·T DNA base mispair and wobble mismatches?Electrostatics for probing lone pairs and their interactions.Energetic analysis of conjugated hydrocarbons using the interacting quantum atoms method.Insights into the self-assembly steps of cyanuric acid toward rosette motifs: a DFT study.On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.Localization-delocalization matrices and electron density-weighted adjacency matrices: new electronic fingerprinting tools for medicinal computational chemistry.Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs.Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders
P2860

Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.

Item
http://www.wikidata.org/entity/Q35202159
description
2014 nî lūn-bûn
@nan
2014 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Modeling biophysical and biolo ...... d the electrostatic potential.
@ast
Modeling biophysical and biolo ...... d the electrostatic potential.
@en
type
label
Modeling biophysical and biolo ...... d the electrostatic potential.
@ast
Modeling biophysical and biolo ...... d the electrostatic potential.
@en
prefLabel
Modeling biophysical and biolo ...... d the electrostatic potential.
@ast
Modeling biophysical and biolo ...... d the electrostatic potential.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P932
P356
P1433
P1476
Modeling biophysical and biolo ...... d the electrostatic potential.
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P932