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ORCIDComputational Biology and Chemistry, Volume 106
Volume 106, October 2023
- Ritika Srivastava, Sunil K. Gupta, Farha Naaz, Parth Sarthi Sen Gupta, Madhu Yadav, Vishal Kumar Singh
, Saroj Kumar Panda, Satyaranjan Biswal, Malay Kumar Rana, Satish Kumar Gupta, Dominique Schols, Ramendra K. Singh:
Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity. 107910 - Suhail Haroon, Hafsath C. A., Jereesh A. S.:
Generative Pre-trained Transformer (GPT) based model with relative attention for de novo drug design. 107911 - Kiran Bharat Lokhande, Arti Kale, Bhagyashree Shahakar, Ashish Shrivastava, Neelu Nawani, K. Venkateswara Swamy, Ashutosh Singh, Sarika Vishnu Pawar:
Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy. 107912 - Sonali Tayal, Sonika Bhatnagar:
Role of molecular mimicry in the SARS-CoV-2-human interactome for pathogenesis of cardiovascular diseases: An update to ImitateDB. 107919 - Hengyuan Miao, Ercan Engin Kuruoglu, Tao Xu:
Non-homogeneous Poisson and renewal processes as spatial models for cancer mutation. 107922 - Meiqin Gong, Yuchen He, Maocheng Wang, Yongqing Zhang, Chunli Ding:
Interpretable single-cell transcription factor prediction based on deep learning with attention mechanism. 107923 - Linjie Wang, Wei Li, Weidong Xie, Rui Wang, Kun Yu:
Dual-GCN-based deep clustering with triplet contrast for ScRNA-seq data analysis. 107924 - Nina Petrovic, Magbubah Essack, Ahmad Sami, George Perry, Takashi Gojobori, Esma R. Isenovic, Vladan P. Bajic:
MicroRNA networks linked with BRCA1/2, PTEN, and common genes for Alzheimer's disease and breast cancer share highly enriched pathways that may unravel targets for the AD/BC comorbidity treatment. 107925 - Shantanu Gupta, Daner Acunha Silveira, Ronaldo Fumio Hashimoto:
A Boolean model of the oncogene role of FAM111B in lung adenocarcinoma. 107926 - Kaushik Bhargav Sivangi, Santhosh Amilpur, Chandra Mohan Dasari:
ReGen-DTI: A novel generative drug target interaction model for predicting potential drug candidates against SARS-COV2. 107927 - Souad A. El-Metwally, Abdelrahman A. Abuelkhir, Hazem Elkady, Mohammed S. Taghour, Ibrahim M. Ibrahim, Dalal Z. Husein, Aisha A. Alsfouk, Ahlam Sultan, Ahmed Ismail, Samy Y. Elkhawaga, Eslam B. Elkaeed, Ahmed M. Metwaly, Ibrahim H. Eissa:
In vitro and in silico evaluation of new thieno[2,3-d]pyrimidines as anti-cancer agents and apoptosis inducers targeting VEGFR-2. 107928 - Tzu-Hsien Yang, Zhan-Yi Liao, Yu-Huai Yu, Min Hsia:
RDDL: A systematic ensemble pipeline tool that streamlines balancing training schemes to reduce the effects of data imbalance in rare-disease-related deep-learning applications. 107929 - Goncagül Serdaroglu, Nesimi Uludag, Elvan Üstün:
An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations. 107930 - Redi Aditama, Zulfikar Achmad Tanjung, Victor Aprilyanto, Widyartini Made Sudania, Condro Utomo, Tony Liwang:
Identification of oil palm cis-regulatory elements based on DNA free energy and single nucleotide polymorphism density. 107931 - Oscar Valdes, Akbar Ali, Verónica Carrasco-Sánchez, Gustavo Cabrera-Barjas, Esteban Duran-Lara, Muhammad Ibrahim, Sajjad Ahmad, Rachel Moreno, Odette Concepción, Alexander F. de la Torre, Muhammad Abrar, Luis Morales-Quintana, Diana Abril:
Ugi efficient synthesis of novel N-alkylated lipopeptides, antimicrobial properties and computational studies in Staphylococcus aureus via MurD antibacterial target. 107932 - Juri Jin, Md. Helal Uddin Chowdhury, Tuhin Das, Sourav Biswas, Ke Wang, Md. Hafizur Rahman, Ki Young Choi, Md. Adnan:
Chemico-biological interaction unraveled the potential mechanistic pathway of Ixeridium dentatum compounds against atopic dermatitis. 107933 - Elif Kubat Oktem, Ummuhan Demir, Metin Yazar, Kazim Yalçin Arga:
Three candidate anticancer drugs were repositioned by integrative analysis of the transcriptomes of species with different regenerative abilities after injury. 107934 - Tushar Ranjan Sahoo, Sabyasachi Patra, Swati Vipsita:
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks. 107935 - Lucia Sessa, Simona Concilio, Francesco Marrafino, Arkadeep Sarkar, Rosita Diana, Stefano Piotto:
Theoretical investigation of hydroxylated analogues of valinomycin as potassium transporter. 107936 - Salaheddine Redouane, Houda Harmak, Zouhair Elkarhat, Hicham Charoute, Abderrahim Malki, Abdelhamid Barakat, Hassan Rouba:
Exploring the impact of CYP11A1's missense SNPs on the interaction between CYP11A1 and cholesterol: A comprehensive structural analysis and MD simulation study. 107937 - Lacksany Phongphane, Siti Nurshahira Mohd Radzuan, Mohamad Hafizi Abu Bakar, Mohammad Tasyriq Che Omar, Unang Supratman, Desi Harneti, Habibah A. Wahab, Mohamad Nurul Azmi:
Synthesis, biological evaluation, and molecular modelling of novel quinoxaline-isoxazole hybrid as anti-hyperglycemic. 107938 - Alan G. Holt, Adrian M. Davies:
The prevalence of dementia in humans could be the result of a functional adaptation. 107939 - Madhavi Sahadevan, Mullainathan Sundaram, Subramanian Karunagaran:
Quantum mechanical approaches and molecular docking studies of metal based anticancer drugs cis-Diammine glycolato platinum and Diaminocyclohexane oxalatoplatinum structures. 107940
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