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Computational Biology and Chemistry, Volume 112
Volume 112, 2024
- Akash Ajay
, Tina Begum, Ajay Arya, Krishan Kumar, Shandar Ahmad
Global and local genomic features together modulate the spontaneous single nucleotide mutation rate. 108107 - Saba Ali, Aamir Aman, Kowit Hengphasatporn
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. 108111 - Jia-Lin Cui, Hua Li, Qi He, Bin-Yan Jin, Zhe Liu, Xiao-Ming Zhang, Li Zhang
Integrating classic AI and agriculture: A novel model for predicting insecticide-likeness to enhance efficiency in insecticide development. 108113 - Bahar Çiftçi, Ramazan Tekin:
Prediction of viral families and hosts of single-stranded RNA viruses based on K-Mer coding from phylogenetic gene sequences. 108114 - Pengli Lu, Jialong Tian:
ACDMBI: A deep learning model based on community division and multi-source biological information fusion predicts essential proteins. 108115 - Tarikul I. Milon, Yuhong Wang, Ryan L. Fontenot, Poorya Khajouie
Development of a novel representation of drug 3D structures and enhancement of the TSR-based method for probing drug and target interactions. 108117 - Vishu Gupta, Bani Jolly, Rahul C. Bhoyar, Mohit Kumar Divakar, Abhinav Jain
Spectrum of rare and common mitochondrial DNA variations from 1029 whole genomes of self-declared healthy individuals from India. 108118 - Meng Wang
From driver genes to gene families: A computational analysis of oncogenic mutations and ubiquitination anomalies in hepatocellular carcinoma. 108119 - Mingguang Shi, Xudong Cheng, Yulong Dai:
STPDA: Leveraging spatial-temporal patterns for downstream analysis in spatial transcriptomic data. 108127 - Gláucia C. B. Silva, Luciana R. Camillo, Dalma B. Santos, Maurício S. Amorim, Luana P. Gonçalves, Ana C. O. Barbosa, Dílson S. Rocha Junior, Grazielle M. Alcântara, Marcio G. C. Costa:
Identification of DEMETER-like DNA demethylase gene family in citrus and their role in drought stress-adaptive responses. 108128 - Bilal Ahmad Mir
SB-Net: Synergizing CNN and LSTM networks for uncovering retrosynthetic pathways in organic synthesis. 108130 - Chaochun Wei, Haolin Zhang
4D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors. 108131 - Deepesh Kumar Patel, Harish Kumar, M. Elizabeth Sobhia:
Exploring the binding dynamics of covalent inhibitors within active site of PLpro in SARS-CoV-2. 108132 - Mark Andrian B. Macalalad
High-throughput virtual screening of Streptomyces spp. metabolites as antiviral inhibitors against the Nipah virus matrix protein. 108133 - Bharath Kumar Chagaleti
Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation - A systematic computational approach to discover novel cancer therapeutics. 108134 - Deblina Rababi, Anish Nag
A top-down approach for studying the in-silico effect of the novel phytocompound tribulusamide B on the inhibition of Nipah virus transmission through targeting fusion glycoprotein and matrix protein. 108135 - Weiyu Zhou, Haiqiao Yu, Shuang Yan:
Single-cell transcriptome sequencing revealed the metabolic changes and microenvironment changes of cardiomyocytes induced by diabetes. 108136 - Marushka Soobben
Exploring the evolutionary trajectory and functional landscape of cannabinoid receptors: A comprehensive bioinformatic analysis. 108138 - Vanessa de Melo Cavalcanti-Dantas, Brenda Fernandes
Differential epitope prediction across diverse circulating variants of SARS-COV-2 in Brazil. 108139 - Prangan Nath
ETENLNC: An end to end lncRNA identification and analysis framework to facilitate construction of known and novel lncRNA regulatory networks. 108140 - Xinyi Wang, Shunfang Wang
ACP-PDAFF: Pretrained model and dual-channel attentional feature fusion for anticancer peptides prediction. 108141 - Subham Dawn, Prabir Manna, Totan Das
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach. 108142 - Belma Aslim, Serap Nigdelioglu Dolanbay, Sahra Setenay Baran:
Exploring allocryptopine as a neuroprotective agent against oxidative stress-induced neural apoptosis via Akt/GSK-3β/tau pathway modulation. 108144 - Sandra De La Torre, Sebastián Adolfo Cuesta, Luis Calle, José Ramón Mora, José Luis Paz
Computational approaches for lead compound discovery in dipeptidyl peptidase-4 inhibition using machine learning and molecular dynamics techniques. 108145 - Zuxi Cui, Fredrick R. Schumacher:
Small-group originating model: Optimized individual-level GWAS simulation featured by SLiM and using open-access data. 108147 - Rumei Li
Identification of immunosenescence of unconventional T cells in hepatocellular carcinoma. 108148 - Jiayi Wei, Xin Wang, Hongping Guo
Subclassification of lung adenocarcinoma through comprehensive multi-omics data to benefit survival outcomes. 108150 - Ashanul Haque
Identification of imidazole-based small molecules to combat cognitive disability caused by Alzheimer's disease: A molecular docking and MD simulations based approach. 108152 - Arupam Patra, Siddhartha Sankar Ghosh, Gurvinder Kaur Saini:
Exploring potential molecular targets and therapeutic efficacy of beauvericin in triple-negative breast cancer cells. 108154 - Zahra Iranmanesh, Maryam Dehestani, Saeed Esmaeili-Mahani:
Discovering novel targets of abscisic acid using computational approaches. 108157 - Anlin Hou
Multi-scale DNA language model improves 6 mA binding sites prediction. 108129 - Ying Qian, Xinyi Li, Jian Wu, Qian Zhang
MMCL-CPI: A multi-modal compound-protein interaction prediction model incorporating contrastive learning pre-training. 108137 - Gang Liu
Towards key genes identification for breast cancer survival risk with neural network models. 108143 - Hossein Shirani
Quantum-level machine learning calculations of Levodopa. 108146 - Miah Roney
Comprehending the pharmacological mechanism of marine phenolic acids in bladder cancer therapy against matrix metalloproteinase 9 protein by integrated network pharmacology and in-silico approaches. 108149 - Ankur Datta
Unraveling the intricate physiological processes dysregulated in CHD-affected and Dan-Lou tablet-treated individuals. 108151 - Muhammad Bilal Afridi, Haseeba Sardar, Goncagül Serdaroglu, Syed Wadood Ali Shah, Khalaf F. Alsharif, Haroon Khan:
SwissADME studies and Density Functional Theory (DFT) approaches of methyl substituted curcumin derivatives. 108153 - Payal Singh, Almas Akhtar, Nikita Admane, Abhinav Grover:
The antiviral drug Ribavirin effectively modulates the amyloid transformation of α-Synuclein protein. 108155 - Luo De, Nan Xing, Qinyun Du, Sa Guo, Shaohui Wang
Investigating the anti-lung cancer properties of Zhuang medicine Cycas revoluta Thunb. leaves targeting ion channels and transporters through a comprehensive strategy. 108156 - Madhumathi Sanjeevi, Ajitha Mohan, Dhanalakshmi Ramachandran, Jeyaraman Jeyakanthan, Kanagaraj Sekar:
CSSP-2.0: A refined consensus method for accurate protein secondary structure prediction. 108158 - Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan
Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers. 108159 - Sarvesh Sabarathinam, Akash Jayaraman
Computational exploration of Ganoderma lucidum metabolites as potential anti-atherosclerotic agents: Insights from molecular docking and dynamics simulations. 108160 - Nirjara Singhvi, Chandni Talwar
Insights into the radiation and oxidative stress mechanisms in genus Deinococcus. 108161 - Zulqurnain Sabir, Tino Bou Rada, Zeinab Kassem, Muhammad Umar, Soheil Salahshour:
A novel radial basis neural network for the Zika virus spreading model. 108162 - Meredita Susanty
Leveraging protein language model embeddings and logistic regression for efficient and accurate in-silico acidophilic proteins classification. 108163 - Hina Qayoom, Sania Bashir, Rumaisa Khan, Mahboob Ul Hussain, Shameema Wani, Manzoor A. Mir:
Exploring SALL4 as a significant prognostic marker in breast cancer and its association with progression pathways involved in cancer genesis. 108164 - S. Iyyappan, Mohd Ashraf Rather, Ishtiyaq Ahmad, Irfan Ahmad:
Comparative mitochondrial genomics analysis of selected species of Schizothoracinae sub family to explore the differences at mitochondrial DNA level. 108165 - Yanqiu Wang, Tong Wang, Yi Cao, Xu Qiao, Xianhua Han, Zhi-Ping Liu:
TopMarker: Computational screening biomarkers of hepatocellular carcinoma from transcriptome and interactome based on differential network topological parameters. 108166 - Sandra Saric, Tomislav Kostic, Milan Lovic, Ivana Aleksic, Dejan Hristov, Miljana Sarac, Aleksandar M. Veselinovic:
In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions. 108167 - Venkateswarlu Kojja, Vanitha Rudraram, Bhanukiran Kancharla, Hemalatha Siva, Anjana Devi Tangutur, Prasanta Kumar Nayak:
Identification of phytoestrogens as sirtuin inhibitor against breast cancer: Multitargeted approach. 108168 - Chinju John
CNN-BLSTM based deep learning framework for eukaryotic kinome classification: An explainability based approach. 108169 - Sujisha S. Nambiar, Siddhartha Sankar Ghosh, Gurvinder Kaur Saini:
Gliotoxin triggers cell death through multifaceted targeting of cancer-inducing genes in breast cancer therapy. 108170 - Safia Samir
Urinary biomarkers analysis as a diagnostic tool for early detection of pancreatic adenocarcinoma: Molecular quantification approach. 108171 - Mazumder Adhish
Probing the effects of single point mutations in the GKWWRPS motif on the PNAIG motif within Loop 2 of sclerostin (SOST) using in-silico techniques. 108173 - Nur Lina Rahmat, Anis Nadyra Zifruddin, Nur Syamimi Yusoff, Suhaila Sulaiman
Transcriptome analysis reveals mechanisms of metabolic detoxification and immune responses following farnesyl acetate treatment in Metisa plana. 108176 - Nilufer Ercin, Nail Besli
Uncovering the antidiabetic potential of heart-friendly and diuretic bioactive compounds through computer-based drug design. 108180 - Min Xiang, Yue Lai
Novel biomarkers associated with oxidative stress and immune infiltration in intervertebral disc degeneration based on bioinformatics approaches. 108181 - Misgana Mengistu Asmare, Soon-Il Yun:
E-pharmacophore and deep learning based high throughput virtual screening for identification of CDPK1 inhibitors of Cryptosporidium parvum. 108172 - Jie Luo, Mengyun Liang, Tengfei Ma, Bizhen Dong, Liping Jia, Meifang Su
Identification of angiogenesis-related subtypes and risk models for predicting the prognosis of gastric cancer patients. 108174 - K. R. Saranya, E. R. Vimina:
DRN-CDR: A cancer drug response prediction model using multi-omics and drug features. 108175 - Mansour K. Gatasheh:
Identifying key genes against rutin on human colorectal cancer cells via ROS pathway by integrated bioinformatic analysis and experimental validation. 108178 - Maroof Ahmad Khan, Mubashar Ilyas, Shehwas Kalsoom, Muhammad Abbas, Hafiz Muhammad Zohaib, Mudassar Ilyas, Faryal Nazar Balouch, Mohsin Rasheed
In-silico optimization of resveratrol interaction with nano-borophene: A DFT-guided study of supramolecular artistry. 108179 - Imtisenla Longkumer
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification. 108182 - Minghui Wang
Res-GCN: Identification of protein phosphorylation sites using graph convolutional network and residual network. 108183 - Tao Wang, Xiaojun Su, Yuchao Liang, Xu Luo, Xiao Hu, Ting Xia, Xuebin Ma, Yongchun Zuo, Huilin Xia, Lei Yang
Integrated deep learning model for automatic detection and classification of stenosis in coronary angiography. 108184
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