Skip to main content

3 articles related to "Smd Simulations"

No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.

Articles

Original Research

Published on 12 Jun 2019

Theoretical Study of Adenine to Guanine Transition Assisted by Water and Formic Acid Using Steered Molecular Dynamic Simulations

in Theoretical and Computational Chemistry

Santiago Tolosa
Jorge A. Sansón
Antonio Hidalgo

Frontiers in Chemistry

doi 10.3389/fchem.2019.00414

13,694 views
16 citations

Original Research

Published on 07 Oct 2024

Molecular insights and inhibitory dynamics of flavonoids in targeting Pim-1 kinase for cancer therapy

in Ethnopharmacology

Hani A. Alhadrami
Ahmed M. Sayed
Hossam M. Hassan
Albaraa H. Alhadrami
Mostafa E. Rateb

Frontiers in Pharmacology

doi 10.3389/fphar.2024.1440958

3,236 views
3 citations

Original Research

Published on 13 Mar 2018

Chloride Ion Transport by the E. coli CLC Cl−/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study

in Theoretical and Computational Chemistry

Chun-Hung Wang
Adam W. Duster
Baris O. Aydintug
MacKenzie G. Zarecki
Hai Lin

Frontiers in Chemistry

doi 10.3389/fchem.2018.00062

8,717 views
17 citations