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ORCIDComputational Biology and Chemistry, Volume 108
Volume 108, February 2024
- Bhawna, Sunil Kumar, Parvin Kumar
, Ashwani Kumar:
Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment. 107975 - Manwi Shankar, Majji Sai Sudha Rani, Priyanka Gopi, Arsha P, Prateek Pandya:
Structure and energetics of serum protein complex of tea adulterant dye Bismarck brown Y using experimental and computational methods. 107976 - Kangjie Wu, Liqian Xu, Xinxiang Li, Youhua Zhang, Zhenyu Yue, Yujia Gao, Yiqiong Chen:
Named entity recognition of rice genes and phenotypes based on BiGRU neural networks. 107977 - Suman Hait, Sudip Kundu:
Revisiting structural organization of proteins at high temperature from a network perspective. 107978 - Eashita Suvarna, Anagha S. Setlur, Chandrashekar K, Sridharan M, Vidya Niranjan:
Computational molecular perspectives on novel carbazole derivative as an anti-cancer molecule against CDK1 of breast and colorectal cancers via gene expression studies, novel two-way docking strategies, molecular mechanics and dynamics. 107979 - Chi Zhang, Qian Gao, Ming Li, Tianfei Yu:
Implementing link prediction in protein networks via feature fusion models based on graph neural networks. 107980 - Kunal Bhattacharya, Shikha Mahato, Satyendra Deka, Nongmaithem Randhoni Chanu, Amit Kumar Shrivastava, Pukar Khanal:
Netting into the Sophoretin pool: An approach to trace GSTP1 inhibitors for reversing chemoresistance. 107981 - Chuangchuang Tian, Luping Wang, Zhiming Cui, Hongjie Wu:
GTAMP-DTA: Graph transformer combined with attention mechanism for drug-target binding affinity prediction. 107982 - Pengli Lu, Wenqi Zhang, Jinkai Wu:
AMPCDA: Prediction of circRNA-disease associations by utilizing attention mechanisms on metapaths. 107989 - Kountay Dwivedi, Ankit Rajpal, Sheetal Rajpal, Virendra Kumar, Manoj Agarwal, Naveen Kumar:
XL1R-Net: Explainable AI-driven improved L1-regularized deep neural architecture for NSCLC biomarker identification. 107990 - Manikandan Jayaraman, Vijayakumar Gosu, Rajalakshmi Kumar, Jeyaraman Jeyakanthan:
Computational insights into potential marine natural products as selective inhibitors of Mycobacterium tuberculosis InhA: A structure-based virtual screening study. 107991 - Guobo Xie, Jun-Rui Yu, Zhiyi Lin, Guosheng Gu, Rui-Bin Chen, Haojie Xu, Zhen-Guo Liu:
Prediction of miRNA-disease associations based on strengthened hypergraph convolutional autoencoder. 107992 - Aziz Arzine, Oussama Abchir, Mohammed Chalkha, Khalid Chebbac, Yassine Rhazi, Najoua Barghady, Imane Yamari, Abdelfattah EL Moussaoui, Asmae Nakkabi, Mohammed A. Awadallah, Mohamed Bakhouch, Samir Chtita, Mohamed EL Yazidi:
Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents. 107993 - Vinod Jani, Uddhavesh Sonavane, Sangeeta Sawant:
Structural insights into the activation mechanism of phosphoinositide 3-kinase alpha. 107994 - Pavel Loskot:
A query-response causal analysis of reaction events in biochemical reaction networks. 107995 - Chitra Loganathan, Fuad Ameen, Penislusshiyan Sakayanathan, M. Amirul Islam, Palvannan Thayumanavan:
Exploring the interaction of phytochemicals from Hibiscus rosa-sinensis flowers with glucosidase and acetylcholinesterase: An integrated in vitro and in silico approach. 107996 - Mingzhe Xu, Nor Aniza Abdullah, Aznul Qalid Md Sabri:
A method to improve the prediction performance of cancer-gene association by screening negative training samples through gene network data. 107997 - Muhammed Erkan Karabekmez, Merve Yarici:
Parameterization of asymmetric sigmoid functions in weighted gene co-expression network analysis. 107998 - Ghazala Sultan, Swaleha Zubair:
An ensemble of bioinformatics and machine learning approaches to identify shared breast cancer biomarkers among diverse populations. 107999 - Jing Yan, Wenyan Qu, Xiaoyi Li, Ruobing Wang, Jianjun Tan:
GATLGEMF: A graph attention model with line graph embedding multi-complex features for ncRNA-protein interactions prediction. 108000 - Qi Jin, Jiang Xie, Dingkai Huang, Chang Zhao, Hongjian He:
MSFF-MA-DDI: Multi-Source Feature Fusion with Multiple Attention blocks for predicting Drug-Drug Interaction events. 108001 - Yefeng Shen, Md. Zakir Hossain, Khandaker Asif Ahmed, Shafin Rahman:
An open set model for pest identification. 108002 - Iffat Habib, Tahir Ali Chohan, Talha Ali Chohan, Fakhra Batool, Umair Khurshid, Anjum Khursheed, Ali Raza, Mukhtar Ansari, Arshad Hussain, Sirajudheen Anwar, Nasser A. Awadh Ali, Hammad Saleem:
Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations. 108003 - Debadrita Basu, Shubhra Ghosh Dastidar:
Molecular Dynamics and Machine Learning reveal distinguishing mechanisms of Competitive Ligands to perturb α,β-Tubulin. 108004 - Priyanka Purohit, Debashis Barik, Jarmani Dansana, Biswa Ranjan Meher:
Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease. 108005 - Zhouling Xie, Wei Ruan, Jiaojiao Guo, Yan Li, Siqi Zhou, Jing Zhao, Li Wan, Shan Xu, Qidong Tang, Pengwu Zheng, Linxiao Wang, Wufu Zhu:
T5S1607 identified as a antibacterial FtsZ inhibitor：Virtual screening combined with bioactivity evaluation for the drug discovery. 108006 - Parijat Dutta, Plaboni Sen, Thirukumaran Kandasamy, Siddhartha Sankar Ghosh:
Targeting AR-positive breast cancer cells via drug repurposing approach. 108007
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