Prediction and evaluation of pyrimidinones derivatives: DFT analysis, corrosion inhibition, and bioactivity studies by Ahmed M. Wahba, Kamel Shoueir, Abd El-Aziz S. Fouda

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Multicomponent synthesis, cytotoxicity, and computational studies of novel imidazopyridazine-based N-phenylbenzamides by M. Shaheer Malik, Reem A. Alsantali, Abdullah Y.A. Alzahrani, Qazi Mohammad Sajid Jamal, Essam M. Hussein, Khalid A. Alfaidi, Munirah M. Al-Rooqi, Rami J. Obaid, Meshari A. Alsharif, Syed Farooq Adil, Rabab S. Jassas, Ziad Moussa, Saleh A. Ahmed

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Synthesis, Characterization, Thermal Analysis, DFT, and Computational/Anti-Corrosion Studies for New Azo Metal Complexes by Hanadi Mahdi Jarallah, Safaa Hussein Ali

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Metabolic profiling and antimicrobial activity of Bistorta amplexicaulis D. don by in-vitro implicated through computational studies by Hanan Javid, Umar Yousuf, Roof Ul Qadir, Junaid A. Magray, Bilal A. Wani, Tajamul Islam, Irshad A. Nawchoo, Shabana Gulzar

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Integrative Computational Approaches for Understanding Drug Resistance in HIV-1 Protease Subtype C by Sankaran Venkatachalam, Nisha Muralidharan, Ramesh Pandian, Yasien Sayed, M. Michael Gromiha

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Development of biodegradable magnesium alloy stents with coating by Lorenza Petrini, Wei Wu, Dario Gastaldi, Lina Altomare, Silvia Farè, Francesco Migliavacca, Ali Gökhan Demir, Barbara Previtali, Maurizio Vedani

Subjects: “…Bioresorbable alloys; Degradable scaffolds; Polymeric coating; Computational studies; Experimental validations.…”
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Synthesis, computational studies and In Silico approaches of novel organophosphorus derivatives as anti-Alzheimer Agents by Maha Ameur, Rania Omrani, Sonia Taktouk, Anis Raddaoui, Ahmed Ridha El Ouederni, Rafik Gatri

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Synthesis, Antimalarial Activity and Molecular Dynamics Studies of Pipecolisporin: A Novel Cyclic Hexapeptide with Potent Therapeutic Potential by Nety Kurniaty, Taufik Muhammad Fakih, Rani Maharani, Unang Supratman, Ace Tatang Hidayat, Nurhidanatasha Abu Bakar, Xiaoshuang Wei

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Repurposing FDA-Approved Agents to Develop a Prototype <i>Helicobacter pylori</i> Shikimate Kinase (HPSK) Inhibitor: A Computational Approach Using Virtual Screening, MM-GBSA Calcu... by Abdulaziz H. Al Khzem, Tagyedeen H. Shoaib, Rua M. Mukhtar, Mansour S. Alturki, Mohamed S. Gomaa, Dania Hussein, Nada Tawfeeq, Mohsina Bano, Mohammad Sarafroz, Raghad Alzahrani, Hanin Alghamdi, Thankhoe A. Rants’o

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Unveiling the Power of Computational Tools in Chiral Liquid Chromatography by Rita Lima, Rui P. P. Neves, Pedro A. Fernandes, Artur M. S. Silva, Carla Fernandes

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Concurrent photocatalytic degradation of organic pollutants using smart magnetically cellulose-based metal organic framework nanocomposite by Nora A El-Mahdy, Sayed RH El-Gharkawy, Magda A Akl

Subjects: “…Photocatalytic degradation, computational studies…”
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Impact of solvent on the solution-processed hole transport layer deposition in organic solar cells by Neeraj Chaudhary, Rashi Kedia, Manisha Khatak, Manisha Balkhandia, Asit Patra

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A structural and functional bioinformatics study of QTY-designed retinylidene proteins by Siqi Pan

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Enhancing students' academic achievement in computer studies through the use of reinforcement strategy by John Bosco O.C. Okekeokosisi, Kate Chinwe Okoh

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Influence of physiological conditions on hemodynamics of internal carotid artery aneurysms by Lei Zhou, Shanjie Dong, Amir Alahdadi Kheiri

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Unconventional C—Hlg···H–C (Hlg = Cl, Br, and I) Interactions Involving Organic Halides: A Theoretical Study by Sergi Burguera, Antonio Bauzá

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Numerical investigation of the simultaneous effect of twisted tape and nanofluid hybrid in shell and spiral tube heat exchanger with a special design by Seyed Hossein Hashemi Karouei, Dheyaa J. Jasim, Mohammad N. Fares, Laith S. Sabri, Ahmed Salah Al-Shati

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Effect of bonding characteristics of major constituents of mineral filler-based glass fiber reinforced with epoxy composites by K. S. Lokesh, C. G. Ramachandra, Thandra Pavan Kumar, Praveen Kumar Kanti, Prabhu Paramasivam, Abinet Gosaye Ayanie

Subjects: “…Computational study…”
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From waste to wealth: Plant-Derived cellulose nanocrystal hydrogel for anticancer, antibacterial, and anticorrosion studies by Collince Omondi Awere, Valentine Chikaodili Anadebe, Durgadevi Sabapathi, Bynedi Seshadhri Chinna Mounish, Kasinathan Rakkammal, Pandiyan Muthuramalingam, Venkatramanan Varadharajan, Maduabuchi Chidiebere Arinzechukwu, Ponnuchamy Kumar, Eno E. Ebenso, Krishnaswamy Balamurugan, Rakesh Chandra Barik, Manikandan Ramesh

Subjects: “…Anticorrosion and computational study…”
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Synthesis of various pyrimidines and fused pyrimidines derivatives by telescopic reactions by Manish M. Katiya, Madhukar G. Dhonde, Kapil S. Ganorkar, Jayant M. Gajbhiye

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