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Publication search results
found 358 matches
- 2024
- Thanyawee Srithanyarat, Kittisak Taoma, Thana Sutthibutpong, Marasri Ruengjitchatchawalya, Monrudee Liangruksa, Teeraphan Laomettachit:
Interpreting drug synergy in breast cancer with deep learning using target-protein inhibition profiles. BioData Min. 17(1) (2024) - Tope T. Odunitan, Oluwatosin A. Saibu, Boluwatife T. Apanisile, Damilola A. Omoboyowa, Toheeb A. Balogun, Adeyoola V. Awe, Temitope M. Ajayi, Grace V. Olagunju, Fatimah M. Mahmoud, Modinat Akinboade, Catherine B. Adeniji, Waliu O. Abdulazeez:
Integrating biocomputational techniques for Breast cancer drug discovery via the HER-2, BCRA, VEGF and ER protein targets. Comput. Biol. Medicine 168: 107737 (2024) - Shweta Singh Chauhan, Anshika Gupta, Aashna Srivastava, Ramakrishnan Parthasarathi:
Discovering targeted inhibitors for Escherichia coli efflux pump fusion proteins using computational and structure-guided approaches. J. Comput. Chem. 45(1): 13-24 (2024) - Parveen Gartan, Fahimeh Khorsand, Pushpak Mizar, Juha Ilmari Vahokovski, Luis F. Cervantes, Bengt Erik Haug, Ruth Brenk, Charles L. Brooks III, Nathalie Reuter:
Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3. J. Chem. Inf. Model. 64(3): 621-626 (2024) - Yuki Matsukiyo, Chikashige Yamanaka, Yoshihiro Yamanishi:
De Novo Generation of Chemical Structures of Inhibitor and Activator Candidates for Therapeutic Target Proteins by a Transformer-Based Variational Autoencoder and Bayesian Optimization. J. Chem. Inf. Model. 64(7): 2345-2355 (2024) - Nhat Khang Ngo, Truong Son Hy:
Multimodal protein representation learning and target-aware variational auto-encoders for protein-binding ligand generation. Mach. Learn. Sci. Technol. 5(2): 25021 (2024) - Davide Bacciu, Federico Errica, Alessio Gravina, Lorenzo Madeddu, Marco Podda, Giovanni Stilo:
Deep Graph Networks for Drug Repurposing With Multi-Protein Targets. IEEE Trans. Emerg. Top. Comput. 12(1): 177-189 (2024) - Essmily Simon, Sanjay S. Bankapur:
Prediction of Drug-Target Interactions Using BERT for Protein Sequences and Drug Compound. COMSNETS 2024: 436-438 - 2023
- Arzu Mijit, Xiaona Wang, Yanlin Li, Hangwei Xu, Yingjun Chen, Weiwei Xue:
Mapping synthetic binding proteins epitopes on diverse protein targets by protein structure prediction and protein-protein docking. Comput. Biol. Medicine 163: 107183 (2023) - Leyun Wu, Guangpu Wang, Liping Zhou, Mengxia Mo, Yulong Shi, Bo Li, Leimiao Yin, Qiang Zhao, Yongqing Yang, Chengkun Wu, Zhijian Xu, Weiliang Zhu:
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery. Comput. Biol. Medicine 153: 106515 (2023) - Rahul Singh, Rituraj Purohit:
Computational analysis of protein-ligand interaction by targeting a cell cycle restrainer. Comput. Methods Programs Biomed. 231: 107367 (2023) - Mahroof Kalathingal, Young Min Rhee:
Molecular mechanism of binding between a therapeutic RNA aptamer and its protein target VEGF: A molecular dynamics study. J. Comput. Chem. 44(11): 1129-1137 (2023) - Yangyang Chen, Zixu Wang, Lei Wang, Jianmin Wang, Pengyong Li, Dongsheng Cao, Xiangxiang Zeng, Xiucai Ye, Tetsuya Sakurai:
Deep generative model for drug design from protein target sequence. J. Cheminformatics 15(1): 38 (2023) - Su-Qing Yang, Liu-Xia Zhang, You-Jin Ge, Jin-Wei Zhang, Jian-Xin Hu, Cheng-Ying Shen, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences. J. Cheminformatics 15(1): 48 (2023) - Almotasem Belah Alhamwi, Canan Atilgan, Özge Sensoy:
Nonlocal Effects of Antibiotic-Resistance-Causing Mutations Reveal an Alternative Region for Targeting on FtsW-Penicillin-Binding Protein 3 Complex of Haemophilus influenzae. J. Chem. Inf. Model. 63(10): 3094-3104 (2023) - Jason Kurniawan, Takashi Ishida:
Comparing Supervised Learning and Rigorous Approach for Predicting Protein Stability upon Point Mutations in Difficult Targets. J. Chem. Inf. Model. 63(21): 6778-6788 (2023) - Barmak Mostofian, Holli-Joi Martin, Asghar Razavi, Shivam Patel, Bryce K. Allen, Woody Sherman, Jesus A. Izaguirre:
Targeted Protein Degradation: Advances, Challenges, and Prospects for Computational Methods. J. Chem. Inf. Model. 63(17): 5408-5432 (2023) - Sara Duarte-Pereira, Sérgio Matos, José Luís Oliveira, Raquel M. Silva:
Study of NAD-interacting proteins highlights the extent of NAD regulatory roles in the cell and its potential as a therapeutic target. J. Integr. Bioinform. 20(2) (2023) - Subhagata Chattopadhyay, Nhat Phuong Do, Darren R. Flower, Amit K. Chattopadhyay:
Extracting prime protein targets as possible drug candidates: machine learning evaluation. Medical Biol. Eng. Comput. 61(11): 3035-3048 (2023) - Giacomo B. Marino, Michael Ngai, Daniel J. B. Clarke, Reid H. Fleishman, Eden Z. Deng, Zhuorui Xie, Nasheath Ahmed, Avi Ma'ayan:
GeneRanger and TargetRanger: processed gene and protein expression levels across cells and tissues for target discovery. Nucleic Acids Res. 51(W1): 213-224 (2023) - Amit Ranjan, Hritik Kumar, Deepshikha Kumari, Archit Anand, Rajiv Misra:
Molecule generation toward target protein (SARS-CoV-2) using reinforcement learning-based graph neural network via knowledge graph. Netw. Model. Anal. Health Informatics Bioinform. 12(1): 13 (2023) - Li Xie, Lei Xie:
Elucidation of genome-wide understudied proteins targeted by PROTAC-induced degradation using interpretable machine learning. PLoS Comput. Biol. 19(8) (2023) - Wenjian Ma, Shugang Zhang, Zhen Li, Mingjian Jiang, Shuang Wang, Nianfan Guo, Yuanfei Li, Xiangpeng Bi, Huasen Jiang, Zhiqiang Wei:
Predicting Drug-Target Affinity by Learning Protein Knowledge From Biological Networks. IEEE J. Biomed. Health Informatics 27(4): 2128-2137 (2023) - Wenqi Shi, Mio Murakoso, Xiaoyan Guo, Linxi Xiong, Matthew Chen, May D. Wang:
Effective Surrogate Models for Docking Scores Prediction of Candidate Drug Molecules on SARS-CoV-2 Protein Targets. BIBM 2023: 4235-4242 - Ruiqi Chen, Haoyang Zhang, Jun Yu, Kun Wang:
FPGA Accelerating Multi-Source Transfer Learning with GAT for Bioactivities of Ligands Targeting Orphan G Protein-Coupled Receptors. FPL 2023: 317-321 - Runhua Zhang, Baozhong Zhu, Tengsheng Jiang, Zhiming Cui, Hongjie Wu:
Deep Learning-Based Prediction of Drug-Target Binding Affinities by Incorporating Local Structure of Protein. ICIC (3) 2023: 666-675 - Xiuyuan Hu, Yanghepu Li, Guoqing Liu, Yang Zhao, Hao Zhang, Liang Zhao:
De novo Drug Design against SARS-CoV-2 Protein Targets using SMILES-based Deep Reinforcement Learning. ICIT 2023: 161-166 - Zaixi Zhang, Yaosen Min, Shuxin Zheng, Qi Liu:
Molecule Generation For Target Protein Binding with Structural Motifs. ICLR 2023 - Jiahui Wen, Haitao Gan, Zhi Yang, Ming Shi, Ji Wang:
MView-DTI: A Multi-view Feature Fusion-Based Approach for Drug-Target Protein Interaction Prediction. ICONIP (10) 2023: 400-411 - Aviral Chharia, Runjhun Saran, Apurva Narayan:
cAPTured: Neural Reflex Arc-Inspired Fuzzy Continual Learning for Capturing in Silico Aptamer-Target Protein Interactions. IJCNN 2023: 1-9
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