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4 articles related to "Bonding Analysis"

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Articles

Original Research

Published on 31 Aug 2020

Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn±1 (N = 2−12) Clusters DFT Study

in Smart Materials

Lu Zeng
Xiao-Fan Wei
Mei-Kun Liang
Jun Zhao
BenChao Zhu

Frontiers in Materials

doi 10.3389/fmats.2020.00221

2,555 views
14 citations

Original Research

Published on 24 Jan 2020

Dynamics Insights Into the Gain of Flexibility by Helix-12 in ESR1 as a Mechanism of Resistance to Drugs in Breast Cancer Cell Lines

in Biological Modeling and Simulation

Abbas Khan
Ashfaq-Ur-Rehman
Muhammad Junaid
Cheng-Dong Li
Shoaib Saleem
Fahad Humayun
Shazia Shamas
Syed Shujait Ali
Zainib Babar
Dong-Qing Wei

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2019.00159

9,727 views
46 citations

Original Research

Published on 31 May 2023

The XBB.1.5 slightly increase the binding affinity for host receptor ACE2 and exhibit strongest immune escaping features: molecular modeling and free energy calculation

in Biological Modeling and Simulation

Muhammad Suleman
Aneela Murtaza
Maria
Haji Khan
Farooq Rashid
Abdulrahman Alshammari
Liaqat Ali
Abbas Khan
Dong-Qing Wei

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2023.1153046

4,140 views
17 citations

Original Research

Published on 19 Nov 2024

Impact of camel milk lactoferrin peptides against breast cancer cells: in silico and in vitro study

in Pharmacology of Anti-Cancer Drugs

Othman Baothman
Ehab M. M. Ali
Hassan Alguridi
Salman Hosawi
Emadeldin Hassan E. Konozy
Isam M. Abu Zeid
Abrar Ahmad
Hisham N. Altayb

Frontiers in Pharmacology

doi 10.3389/fphar.2024.1425504

5,547 views
6 citations