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Tuning hyperparameters of machine learning algorithms and deep neural networks using metaheuristics: A bioinformatics study on biomedical and biological cases
Nematzadeh, Sajjad, Kiani, Farzad, Torkamanian-Afshar, Mahsa, Aydin, Nizamettin
Published in Computational biology and chemistry (01.04.2022)
Published in Computational biology and chemistry (01.04.2022)
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Journal Article
A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in component-based Chinese medicine
Jiao, Xinyi, Jin, Xin, Ma, Yuanyuan, Yang, Yang, Li, Jinjing, Liang, Liuyi, Liu, Rui, Li, Zheng
Published in Computational biology and chemistry (01.02.2021)
Published in Computational biology and chemistry (01.02.2021)
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Journal Article
Chaos enhanced grey wolf optimization wrapped ELM for diagnosis of paraquat-poisoned patients
Zhao, Xuehua, Zhang, Xiang, Cai, Zhennao, Tian, Xin, Wang, Xianqin, Huang, Ying, Chen, Huiling, Hu, Lufeng
Published in Computational biology and chemistry (01.02.2019)
Published in Computational biology and chemistry (01.02.2019)
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Journal Article
Geo-Measures: A PyMOL plugin for protein structure ensembles analysis
Kagami, Luciano Porto, das Neves, Gustavo Machado, Timmers, Luís Fernando Saraiva Macedo, Caceres, Rafael Andrade, Eifler-Lima, Vera Lucia
Published in Computational biology and chemistry (01.08.2020)
Published in Computational biology and chemistry (01.08.2020)
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Journal Article
Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates
Abu-Dief, Ahmed M., El-Khatib, Rafat M., Aljohani, Faizah S., Al-Abdulkarim, Hessah A., Alzahrani, Seraj, El-Sarrag, Gehad, Ismael, Mohamed
Published in Computational biology and chemistry (01.04.2022)
Published in Computational biology and chemistry (01.04.2022)
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Journal Article
Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug
B., Fathima Rizwana, Prasana, Johanan Christian, Muthu, S., Abraham, Christina Susan
Published in Computational biology and chemistry (01.02.2019)
Published in Computational biology and chemistry (01.02.2019)
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Journal Article
Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent
Manjusha, P., Prasana, Johanan Christian, Muthu, S., Rizwana, B. Fathima
Published in Computational biology and chemistry (01.10.2020)
Published in Computational biology and chemistry (01.10.2020)
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Journal Article
Computational modeling of imines based anti-oxidant and anti-esterases compounds: Synthesis, single crystal and In-vitro assessment
Raza, Muhammad Asam, Farwa, Umme, Danish, Muhammad, Ozturk, Seyhan, Aagar, Aysen Alaman, Dege, Necmi, Rehman, Shafiq Ur, Al-Sehemi, Abdullah G.
Published in Computational biology and chemistry (01.06.2023)
Published in Computational biology and chemistry (01.06.2023)
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Journal Article
Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities
Sagaama, Abir, Noureddine, Olfa, Brandán, Silvia Antonia, Jędryka, Anna Jarczyk, Flakus, Henryk T., Ghalla, Houcine, Issaoui, Noureddine
Published in Computational biology and chemistry (01.08.2020)
Published in Computational biology and chemistry (01.08.2020)
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Journal Article
Hardware acceleration of BWA-MEM genomic short read mapping for longer read lengths
Houtgast, Ernst Joachim, Sima, Vlad-Mihai, Bertels, Koen, Al-Ars, Zaid
Published in Computational biology and chemistry (01.08.2018)
Published in Computational biology and chemistry (01.08.2018)
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Journal Article
Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)
Abd El-Lateef, Hany M., Khalaf, Mai M., Kandeel, Mahmoud, Amer, Amer A., Abdelhamid, Antar A., Abdou, Aly
Published in Computational biology and chemistry (01.08.2023)
Published in Computational biology and chemistry (01.08.2023)
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Journal Article
Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives
Mishra, Virendra R., Ghanavatkar, Chaitannya W., Mali, Suraj N., Qureshi, Shahnawaz I., Chaudhari, Hemchandra K., Sekar, Nagaiyan
Published in Computational biology and chemistry (01.02.2019)
Published in Computational biology and chemistry (01.02.2019)
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Journal Article
Docking techniques in pharmacology: How much promising?
Gupta, Meenakshi, Sharma, Ruchika, Kumar, Anoop
Published in Computational biology and chemistry (01.10.2018)
Published in Computational biology and chemistry (01.10.2018)
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Journal Article
Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics
Chagaleti, Bharath Kumar, B., Shantha Kumar, G.V., Anjana, Rajagopal, Rajakrishnan, Alfarhan, Ahmed, Arockiaraj, Jesu, Muthu Kumaradoss, Kathiravan, Karthick Raja Namasivayam, S.
Published in Computational biology and chemistry (01.10.2024)
Published in Computational biology and chemistry (01.10.2024)
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Journal Article
Predicting drug-target interaction network using deep learning model
You, Jiaying, McLeod, Robert D., Hu, Pingzhao
Published in Computational biology and chemistry (01.06.2019)
Published in Computational biology and chemistry (01.06.2019)
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Journal Article
Network-based approach to identify molecular signatures and therapeutic agents in Alzheimer’s disease
Rahman, Md. Rezanur, Islam, Tania, Turanli, Beste, Zaman, Toyfiquz, Faruquee, Hossain Md, Rahman, Md. Mafizur, Mollah, Md. Nurul Haque, Nanda, Ranjan Kumar, Arga, Kazim Yalcin, Gov, Esra, Moni, Mohammad Ali
Published in Computational biology and chemistry (01.02.2019)
Published in Computational biology and chemistry (01.02.2019)
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Journal Article