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4 research outputs found

Structure investigation, spectral characterization, electronic properties, and antimicrobial and molecular docking studies of 3′-(1-benzyl-5-methyl-1 H

Author: Bauer
Bax
Bernstein
Binil
Bruker
Bruno
Cances
Choi
Chu
Cremer
Dandia
Discovery Studio Dassault Systems BIOVIA
Ditchfield
Farrugia
Farrugia
Feng
Fleming
Gulluoglu
Gunasekaran
Guo
James
Jhun
Kumru
Lambert
Lewis
Meenakshisundaram
Muneer
Murugavel
Rawal
Selvakumar
Shanmugam
Sheldrick
Sheldrick
Snehalatha
Socrates
Spek
Strushkevich
Sundaraganesan
Trott
Varsanyi
Publication venue: 'Wiley'
Publication date
Field of study

Design and synthesis of new 1,6-dihydropyrimidin-2-thio derivatives targeting VEGFR-2: Molecular docking and antiproliferative evaluation

Author: Abdel-Aziz
Abdel-Rahman
Abdelazeem
Abdelbaset
Abou-Zied
Abuo-Rahma
Adel A. Marzouk
Ahmed M. Gouda
Almalki
Amira S. Wanas
Ascenzi
Bahaa G.M. Youssif
Biginelli
Chiang
Dassault systems BIOVIA
Eadsforth
Edrees
El-Sherief
Fathalla
Gille
Hisham
Holmes
Ibrahim
Jin
Kamal S. Abdelrahman
La
Laskowski
Legeay
Llovet
Lv
McTigue
Mohamed Abdel-Aziz
Morris
Okamoto
Rini
Rostom
Salah A. Abdel-Aziz
Shawky
Shaykoon
Taher
Wei
Youssif
Youssif
Zeidan
Zhang
Publication venue: 'Elsevier BV'
Publication date
Field of study

Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study

Author: Bolcato G.
Case D. A.
Dassault Systems BIOVIA.
Delano W. L.
Frisch M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, Jr., J. A., Vreven, T., Kudin, K. N., Burant, J. C., Millam, J. M., Iyengar, S. S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G. A., … Pople, J. A.
Hossam M. A.
Jinzi J.
Li-Sheng W.
Linlin Z.
Lv Z., Chu Y.
Parr R. G.
Yamamoto N.
Publication venue: 'Informa UK Limited'
Publication date
Field of study

Bioactive Heteroleptic Bismuth(V) Complexes: Synthesis, Structural Analysis and Binding Pattern Validation

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