Cargando…

Understanding atomic bonding and electronic distributions of a DNA molecule using DFT calculation and BOLS-BC model

Deoxyribonucleic acid (DNA) is an important molecule that has been extensively researched, mainly due to its structure and function. Herein, we investigated the electronic behavior of the DNA molecule containing 1008 atoms using density functional theory. The bond-charge (BC) model shows the relatio...

Descripción completa

Detalles Bibliográficos
Autores principales:	Deng, Anlin, Li, Hanze, Bo, Maolin, Huang, ZhongKai, Li, Lei, Yao, Chuang, Li, Fengqin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7475201/ https://www.ncbi.nlm.nih.gov/pubmed/32923699 http://dx.doi.org/10.1016/j.bbrep.2020.100804

Ejemplares similares

Atomic Bonding and Electronic Binding Energy of Two-Dimensional Bi/Li(110) Heterojunctions via BOLS-BB Model
por: Bo, Maolin, et al.
Publicado: (2021)

On the structure of Bol algebras
por: Bouetou, T B
Publicado: (2001)

Detecting Air Pollutant Molecules Using Tube-Shaped Single Electron Transistor
por: Huang, Zhongkai, et al.
Publicado: (2021)

Acute phase responses induced in dwarf goats by r.BolL(−1β), r.BolL(−2) and r.BolFN(−γ)
por: Duin, C. T. M. van, et al.
Publicado: (1992)

Birth and life of the BOL-system
por: Oberski, J E J
Publicado: (1972)

Barrel-muon-spectrometer: BOL
Publicado: (2005)

Fundamentos del basquet bol
por: Ruíz Serna, Margarito
Publicado: (1981)

Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins
por: Uzarska, Marta A, et al.
Publicado: (2016)

Recent Advances in Cartesian-Grid DFT in Atoms and Molecules
por: Majumdar, Sangita, et al.
Publicado: (2022)

Fundamentos básico de beis-bol
por: Palacios Hermida, Rdolfo
Publicado: (1977)

DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells
por: Bourass, Mohamed, et al.
Publicado: (2016)

Estadio de fut - bol Orizaba, Veracruz :
por: Velasco Martínez, Francisco
Publicado: (1996)

Estadio de Fut-Bol Orizaba, Veracruz /
por: Velasco Martínez, Francisco
Publicado: (1996)

Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations)
por: Xue, Yong, et al.
Publicado: (2010)

A big data approach to the ultra-fast prediction of DFT-calculated bond energies
por: Qu, Xiaohui, et al.
Publicado: (2013)

Combining Raman Spectroscopy, DFT Calculations, and Atomic Force Microscopy in the Study of Clinker Materials
por: Mohaček-Grošev, Vlasta, et al.
Publicado: (2021)

Delocalization of the Unpaired Electron in the Quercetin Radical: Comparison of Experimental ESR Data with DFT Calculations
por: Li, Zhengwen, et al.
Publicado: (2020)

Understanding structural and molecular properties of complexes of nucleobases and Au13 golden nanocluster by DFT calculations and DFT-MD simulation
por: Hashemkhani Shahnazari, Ghazaleh, et al.
Publicado: (2021)

Electronic structure of two-dimensional In and Bi metal on BN nanosheets
por: Bo, Maolin, et al.
Publicado: (2019)

Electron-atom and electron-molecule collisions
por: Hinze, Juergen
Publicado: (1983)

Some properties of the Bryant-Schneider groups of certain Bol loops
por: Adeniran, J O
Publicado: (2003)

Bol d'Or success for all-women crew from CERN
Publicado: (2001)

Regulation of BolA abundance mediates morphogenesis in Fremyella diplosiphon
por: Singh, Shailendra P., et al.
Publicado: (2015)

Fluorine-Modulated Electronic Structure and Atomic Bonding of the Titanium Surface
por: Li, Lei, et al.
Publicado: (2022)

Collisions of electrons with atoms and molecules
por: Drukarev, G F
Publicado: (1987)

Intramolecular Hydrogen Bonding Involving Organic Fluorine: NMR Investigations Corroborated by DFT-Based Theoretical Calculations
por: Kumar Mishra, Sandeep, et al.
Publicado: (2017)

Germanium Complexes with ONO Tridentate Ligands: O-H Bond Activation Control According to DFT Calculations
por: Zaitsev, Kirill V., et al.
Publicado: (2023)

AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
por: Ionescu, Crina-Maria, et al.
Publicado: (2015)

DFT calculations of Ti-based molecules clustering with Ar for laser-based enrichment of stable isotopes
por: Bernerd, Cyril, et al.
Publicado: (2023)

Quantum chemical calculations of nicotine and caffeine molecule in gas phase and solvent using DFT methods
por: Rijal, Ramesh, et al.
Publicado: (2022)

Strategy of Integrating Ultraviolet Absorption and Antimicrobial Activity in a Single Molecule: DFT Calculation and Experiment
por: Shan, Mingli
Publicado: (2022)

Prognostic Values of BolA Family Member Expression in Hepatocellular Carcinoma
por: Wang, Dong, et al.
Publicado: (2022)

Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations
por: Mohammadi, Mohsen Doust, et al.
Publicado: (2023)

Similarities and differences for atomic and diatomic molecule adsorption on the B-5 type sites of the HCP(101̅6) surfaces of Co, Os, and Ru from DFT calculations
por: Rankin, Rees B
Publicado: (2019)

Probing calcium solvation by XAS, MD and DFT calculations
por: Yang, Feipeng, et al.
Publicado: (2020)

Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials
por: Lehtola, Susi
Publicado: (2023)

Genome Sequences and Methylation Patterns of Natrinema versiforme BOL5-4 and Natrinema pallidum BOL6-1, Two Extremely Halophilic Archaea from a Bolivian Salt Mine
por: DasSarma, Priya, et al.
Publicado: (2019)

Electron density theory of atoms and molecules
por: March, N H
Publicado: (1992)

Gaseous Electronics: Tables, Atoms, and Molecules
por: Raju, Gorur Govinda
Publicado: (2011)

Photon and electron collisions with atoms and molecules
por: Burke, Philip, et al.
Publicado: (1997)

Cannot write session to /tmp/vufind_sessions/sess_723pnqbue2ndrk87mbf5odsmeb