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@article{DBLP:journals/candc/AbdelkaderNOK23, author = {Gelany Aly Abdelkader and Soualihou Ngnamsie Njimbouom and Tae{-}Jin Oh and Jeong{-}Dong Kim}, title = {ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107969}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107969}, doi = {10.1016/J.COMPBIOLCHEM.2023.107969}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/AbdelkaderNOK23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/EissaYEEAHIEGM23, author = {Ibrahim H. Eissa and Reda G. Yousef and Hazem Elkady and Eslam B. Elkaeed and Aisha A. Alsfouk and Dalal Z. Husein and Ibrahim M. Ibrahim and Mostafa. A. Elhendawy and Murrell Godfrey and Ahmed M. Metwaly}, title = {Design, semi-synthesis, anti-cancer assessment, docking, {MD} simulation, and {DFT} studies of novel theobromine-based derivatives as {VEGFR-2} inhibitors and apoptosis inducers}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107953}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107953}, doi = {10.1016/J.COMPBIOLCHEM.2023.107953}, timestamp = {Mon, 05 Feb 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/EissaYEEAHIEGM23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/ElkadyARTDMEAEIHME23, author = {Hazem Elkady and Abdelrahman A. Abuelkhir and Mahmoud Rashed and Mohammed S. Taghour and Mohammed A. Dahab and Hazem A. Mahdy and Alaa Elwan and Hanan A. Al{-}ghulikah and Eslam B. Elkaeed and Ibrahim M. Ibrahim and Dalal Z. Husein and Ahmed M. Metwaly and Ibrahim H. Eissa}, title = {New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, {MD} simulations, DFT, ADMET, and toxicity studies}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107958}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107958}, doi = {10.1016/J.COMPBIOLCHEM.2023.107958}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/ElkadyARTDMEAEIHME23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/FerdousRSDRASKH23, author = {Jannatul Ferdous and Md Ekhtiar Rahman and Farzana Sayed Sraboni and Amit Kumar Dutta and Md. Siddikur Rahman and Md. Roushan Ali and Biswanath Sikdar and Alam Khan and Md. Faruk Hasan}, title = {Assessment of the hypoglycemic and anti-hemostasis effects of \emph{Paederia foetida} {(L.)} in controlling diabetes and thrombophilia combining in vivo and computational analysis}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107954}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107954}, doi = {10.1016/J.COMPBIOLCHEM.2023.107954}, timestamp = {Wed, 24 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/FerdousRSDRASKH23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/FithriIA23, author = {Helmi Husaini Zainal Fithri and Zalikha Ibrahim and Ernie Zuraida Ali}, title = {Impact of {GSK199} and {GSK106} binding on protein arginine deiminase {IV} stability and flexibility: {A} computational approach}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107962}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107962}, doi = {10.1016/J.COMPBIOLCHEM.2023.107962}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/FithriIA23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/GuptaK23, author = {Aakansha Gupta and Rahul Katarya}, title = {A deep-SIQRV epidemic model for {COVID-19} to access the impact of prevention and control measures}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107941}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107941}, doi = {10.1016/J.COMPBIOLCHEM.2023.107941}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/GuptaK23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/HassanIBS23, author = {Ahmad Hassan and Muhammad Adnan Iqbal and Haq Nawaz Bhatti and Muhammad Shahid}, title = {\emph{N}-heterocyclic carbene based Bi-nuclear organoselenium compounds impart a mild biocidal potential compared to their ligands: Synthesis, characterization, computational studies}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107963}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107963}, doi = {10.1016/J.COMPBIOLCHEM.2023.107963}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/HassanIBS23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/IsmailCRKPD23, author = {Shahanaj Ismail and Tajalli Ilm Chandel and Jaganathan Ramakrishnan and Rizwan Hasan Khan and Kumaradhas Poomani and Natarajan Devarajan}, title = {Phytochemical profiling, human insulin stability and alpha glucosidase inhibition of \emph{Gymnema latifolium} leaves aqueous extract: Exploring through experimental and \emph{in silico} approach}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107964}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107964}, doi = {10.1016/J.COMPBIOLCHEM.2023.107964}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/IsmailCRKPD23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/KapilaS23, author = {Ramdas Kapila and Sumalatha Saleti}, title = {Optimizing fetal health prediction: Ensemble modeling with fusion of feature selection and extraction techniques for cardiotocography data}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107973}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107973}, doi = {10.1016/J.COMPBIOLCHEM.2023.107973}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/KapilaS23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/KaragozKRBKBY23, author = {Isil Kutluturk Karag{\"{o}}z and Mucahit Kaya and Ren{\'{e}} R{\"{u}}ckert and Nazli Bozman and Vildan Kaya and Halim Bayram and Mustafa Yildirim}, title = {A bioinformatic analysis: Previous allergen exposure may support anti- SARS-CoV-2 immune response}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107961}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107961}, doi = {10.1016/J.COMPBIOLCHEM.2023.107961}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/KaragozKRBKBY23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/KhanalPPBSCSDHR23, author = {Pukar Khanal and Vishal S. Patil and B. M. Patil and Kunal Bhattacharya and Amit Kumar Shrivastava and Raushan Kumar Chaudhary and Lokjan Singh and Prarambh S. R. Dwivedi and Darasaguppe R. Harish and Subarna Roy}, title = {The marijuana-schizophrenia multifaceted nexus: Connections and conundrums towards neurophysiology}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107957}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107957}, doi = {10.1016/J.COMPBIOLCHEM.2023.107957}, timestamp = {Tue, 07 May 2024 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/KhanalPPBSCSDHR23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/LiWWWZ23, author = {Xiang Li and Gang{-}Ao Wang and Zhuoyu Wei and Hong Wang and Xiaolei Zhu}, title = {Protein-DNA interface hotspots prediction based on fusion features of embeddings of protein language model and handcrafted features}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107970}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107970}, doi = {10.1016/J.COMPBIOLCHEM.2023.107970}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/LiWWWZ23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/LiWZY23, author = {Huaihu Li and Shunfang Wang and Weihua Zheng and Li Yu}, title = {Multi-dimensional search for drug-target interaction prediction by preserving the consistency of attention distribution}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107968}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107968}, doi = {10.1016/J.COMPBIOLCHEM.2023.107968}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/LiWZY23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/LiYZ23, author = {Gaili Li and Yongna Yuan and Ruisheng Zhang}, title = {Ensemble of local and global information for Protein-Ligand Binding Affinity Prediction}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107972}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107972}, doi = {10.1016/J.COMPBIOLCHEM.2023.107972}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/LiYZ23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/MittalTAA23, author = {Lovika Mittal and Rajiv K. Tonk and Amit Awasthi and Shailendra Asthana}, title = {Harnessing the druggability at orthosteric and allosteric sites of {PD-1} for small molecule discovery by an integrated in silico pipeline}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107965}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107965}, doi = {10.1016/J.COMPBIOLCHEM.2023.107965}, timestamp = {Mon, 01 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/MittalTAA23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/PMKPA23, author = {Vivek P and Mithun Mohanan and Shajil U. K and Sandesh E. PA and Jaleel U. C. A}, title = {Graph Attention Network based mapping of knowledge relations between chemical spaces of Nuclear factor kappa {B} and \emph{Centella asiatica}}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107955}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107955}, doi = {10.1016/J.COMPBIOLCHEM.2023.107955}, timestamp = {Mon, 01 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/PMKPA23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/QassimSBA23, author = {Hussein maitham Qassim and Bagher Seyedalipour and Payam Baziyar and Salman Ahamady{-}Asbchin}, title = {Polyphenolic flavonoid compounds act as the inhibitory potential of aggregation process: Implications for the prevention and therapeutics against FALS-associated {D101G} {SOD1} mutant}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107967}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107967}, doi = {10.1016/J.COMPBIOLCHEM.2023.107967}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/QassimSBA23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/RiederNODCR23, author = {Guilherme Schmitt Rieder and Pablo Andrei Nogara and Folorunsho Bright Omage and T{\^{a}}mie Duarte and Cristiane Lenz Dalla Corte and Jo{\~{a}}o Batista Teixeira da Rocha}, title = {Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107956}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107956}, doi = {10.1016/J.COMPBIOLCHEM.2023.107956}, timestamp = {Mon, 01 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/RiederNODCR23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/RojasVargasCP23, author = {Jorge Rojas{-}Vargas and Hugo G. Castel{\'{a}}n{-}S{\'{a}}nchez and Liliana Pardo{-}L{\'{o}}pez}, title = {{HADEG:} {A} curated hydrocarbon aerobic degradation enzymes and genes database}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107966}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107966}, doi = {10.1016/J.COMPBIOLCHEM.2023.107966}, timestamp = {Mon, 01 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/RojasVargasCP23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/SubramaniyanNVJ23, author = {Sneha Subramaniyan and Hemavathy Nagarajan and Umashankar Vetrivel and Jeyaraman Jeyakanthan}, title = {Multilayer precision-based screening of potential inhibitors targeting \emph{Mycobacterium tuberculosis} acetate kinase using \emph{in silico} approaches}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107942}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107942}, doi = {10.1016/J.COMPBIOLCHEM.2023.107942}, timestamp = {Mon, 01 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/SubramaniyanNVJ23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/SultanaMPUUA23, author = {Abida Sultana and Sadia Jannat Mitu and Md Naimul Pathan and Mohammed Nasir Uddin and Md. Ashraf Uddin and Sunil Aryal}, title = {4mC-CGRU: Identification of N4-Methylcytosine (4mC) sites using convolution gated recurrent unit in Rosaceae genome}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107974}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107974}, doi = {10.1016/J.COMPBIOLCHEM.2023.107974}, timestamp = {Mon, 05 Feb 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/SultanaMPUUA23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/TasciAYK23, author = {Hilal Sena Tasci and Ebru Akkus and Muslum Yildiz and Abdulkadir Kocak}, title = {Computational analysis of substrate recognition of Sars-Cov-2 Mpro main protease}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107960}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107960}, doi = {10.1016/J.COMPBIOLCHEM.2023.107960}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/TasciAYK23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/VarsamisKGAMCDKSJW23, author = {Georgios D. Varsamis and Ioannis G. Karafyllidis and K. M. Gilkes and U. Arranz and R. Martin{-}Cuevas and G. Calleja and Panagiotis Dimitrakis and P. Kolovos and R. Sandaltzopoulos and H. C. Jessen and J. Wong}, title = {Quantum gate algorithm for reference-guided {DNA} sequence alignment}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107959}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107959}, doi = {10.1016/J.COMPBIOLCHEM.2023.107959}, timestamp = {Tue, 07 May 2024 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/VarsamisKGAMCDKSJW23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/WangLYLHWJ23, author = {Mengying Wang and Weimin Li and Xiao Yu and Yin Luo and Ke Han and Can Wang and Qun Jin}, title = {AffinityVAE: {A} multi-objective model for protein-ligand affinity prediction and drug design}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107971}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107971}, doi = {10.1016/J.COMPBIOLCHEM.2023.107971}, timestamp = {Mon, 05 Feb 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/WangLYLHWJ23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/WangTSWZ23, author = {Shuyu Wang and Hongzhou Tang and Peng Shan and Zhaoxia Wu and Lei Zuo}, title = {ProS-GNN: Predicting effects of mutations on protein stability using graph neural networks}, journal = {Comput. Biol. Chem.}, volume = {107}, pages = {107952}, year = {2023}, url = {https://doi.org/10.1016/j.compbiolchem.2023.107952}, doi = {10.1016/J.COMPBIOLCHEM.2023.107952}, timestamp = {Sat, 13 Jan 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/WangTSWZ23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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