Search Result "HOMO"


Research Article

Geometry Optimization, UV/Vis, NBO, HOMO and LUMO, Excited State and Antioxidant Evaluation of Pyrimidine Derivatives

Journal: Letters in Organic Chemistry
Volume: 18 Issue: 6 Year: 2021 Page: 465-476
Author(s): Siyamak Shahab,Masoome Sheikhi,Evgeni Kvasyuk,Aliaksei G. Sysa,Radwan Alnajjar,Aleksandra Strogova,Kseniya Sirotsina,Hanna Yurlevich,Darya Novik

Research Article

Improved Prediction of Protein-Protein Interaction Mapping on Homo Sapiens by Using Amino Acid Sequence Features in a Supervised Learning Framework

Journal: Protein & Peptide Letters
Volume: 28 Issue: 1 Year: 2021 Page: 74-83
Author(s): Md. Merajul Islam,Md. Jahangir Alam,Fee Faysal Ahmed,Md. Mehedi Hasan,Md. Nurul Haque Mollah

Research Article

An Improved Computational Prediction Model for Lysine Succinylation Sites Mapping on Homo sapiens by Fusing Three Sequence Encoding Schemes with the Random Forest Classifier

Journal: Current Genomics
Volume: 22 Issue: 2 Year: 2021 Page: 122-136
Author(s): Samme Amena Tasmia,Fee Faysal Ahmed,Md. Parvez Mosharaf,Md. Mehedi Hasan,Md. Nurul Haque Mollah

DFT Study on Some Natural Products: Triclisine, Rufescine, and Imerubrine

Ebook: Turbulent Flow and Boundary Layer Theory: Selected Topics and Solved Problems

Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/97898149983691210101
Research Article

Geometric Isomerism and DFT Theoretical Explanation of the Unexpected Formation of N, N-disubstituted Formamidines from 2-amino-3-cyano-4.6- diarylpyridines

Journal: Current Chinese Chemistry
Volume: 1 Issue: 1 Year: 2021 Page: 21-29
Author(s): El-sayed M. Abdelrehim,Doaa S. El-Sayed

Review Article

Natural Flavans and (Iso)Flavanones with Anticancer Activity: A Review

Journal: Current Organic Chemistry
Volume: 25 Issue: 9 Year: 2021 Page: 1028-1046
Author(s): Arindam Gangopadhyay

Review Article

CdS-Based Photocatalysts for Solar Water Splitting

Journal: Journal of Photocatalysis
Volume: 2 Issue: 0 Year: 2021 Page: 1-21
Author(s): Yimeng Cao,Chuhong Zhu,Taotao Wang,Daochuan Jiang,Sheng Ye

DFT Study on an Unnatural Amino Acid: 4- Hydroxyproline

Ebook: Turbulent Flow and Boundary Layer Theory: Selected Topics and Solved Problems

Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/97898149983691210101
General Review Article

Acid-Sensing Ion Channels: Focus on Physiological and Some Pathological Roles in the Brain

Journal: Current Neuropharmacology
Volume: 19 Issue: 9 Year: 2021 Page: 1570-1589
Author(s): Maksim Storozhuk,Andrii Cherninskyi,Oleksandr Maximyuk,Dmytro Isaev,Oleg Krishtal

Research Article

Analysis of Inhibitor Binding Combined with Reactivity Studies to Discover the Potentially Inhibiting Phytochemicals Targeting Chikungunya Viral Replication

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 3 Year: 2021 Page: 437-450
Author(s): Nouman Rasool,Afreen Bakht,Waqar Hussain

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