Comput. Biol. Chem.

Keyphrases

Publications

volume 108, 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. Comput. Biol. Chem. 108 (2024)
Chi Zhang, Qian Gao, Ming Li, Tianfei Yu
Implementing link prediction in protein networks via feature fusion models based on graph neural networks. Comput. Biol. Chem. 108 (2024)
Manikandan Jayaraman, Vijayakumar Gosu, Rajalakshmi Kumar, Jeyaraman Jeyakanthan
InhA: A structure-based virtual screening study. Comput. Biol. Chem. 108 (2024)
Debadrita Basu, Shubhra Ghosh Dastidar
Molecular Dynamics and Machine Learning reveal distinguishing mechanisms of Competitive Ligands to perturb α,β-Tubulin. Comput. Biol. Chem. 108 (2024)
Chuangchuang Tian, Luping Wang, Zhiming Cui, Hongjie Wu
GTAMP-DTA: Graph transformer combined with attention mechanism for drug-target binding affinity prediction. Comput. Biol. Chem. 108 (2024)
Vinod Jani, Uddhavesh Sonavane, Sangeeta Sawant
Structural insights into the activation mechanism of phosphoinositide 3-kinase alpha. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
Ghazala Sultan, Swaleha Zubair
An ensemble of bioinformatics and machine learning approaches to identify shared breast cancer biomarkers among diverse populations. Comput. Biol. Chem. 108 (2024)
Yefeng Shen, Md. Zakir Hossain, Khandaker Asif Ahmed, Shafin Rahman
An open set model for pest identification. Comput. Biol. Chem. 108 (2024)
Pengli Lu, Wenqi Zhang, Jinkai Wu
AMPCDA: Prediction of circRNA-disease associations by utilizing attention mechanisms on metapaths. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
Chitra Loganathan, Fuad Ameen, Penislusshiyan Sakayanathan, M. Amirul Islam, Palvannan Thayumanavan
approach. Comput. Biol. Chem. 108 (2024)
Suman Hait, Sudip Kundu
Revisiting structural organization of proteins at high temperature from a network perspective. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
Guobo Xie, Jun-Rui Yu, Zhiyi Lin, Guosheng Gu, Rui-Bin Chen, Hao-Jie Xu, Zhen-Guo Liu
Prediction of miRNA-disease associations based on strengthened hypergraph convolutional autoencoder. Comput. Biol. Chem. 108 (2024)
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
and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents. Comput. Biol. Chem. 108 (2024)
Muhammed Erkan Karabekmez, Merve Yarici
Parameterization of asymmetric sigmoid functions in weighted gene co-expression network analysis. Comput. Biol. Chem. 108 (2024)
Pavel Loskot
A query-response causal analysis of reaction events in biochemical reaction networks. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)
Kountay Dwivedi, Ankit Rajpal, Sheetal Rajpal, Virendra Kumar, Manoj Agarwal, Naveen Kumar
: Explainable AI-driven improved L1-regularized deep neural architecture for NSCLC biomarker identification. Comput. Biol. Chem. 108 (2024)
Parijat Dutta, Plaboni Sen, Thirukumaran Kandasamy, Siddhartha Sankar Ghosh
Targeting AR-positive breast cancer cells via drug repurposing approach. Comput. Biol. Chem. 108 (2024)
Priyanka Purohit, Debashis Barik, Jarmani Dansana, Biswa Ranjan Meher
venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease. Comput. Biol. Chem. 108 (2024)
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. Comput. Biol. Chem. 108 (2024)

volume 107, 2023