2024 export record
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journals/biodatamining/SrithanyaratTSRLL24 share record
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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 )export record
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journals/cbm/OdunitanSAOBAAOMAAA24 share record
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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 )export record
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journals/jcc/ChauhanGSP24a share record
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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 )export record
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journals/jcheminf/ChenB24 share record
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Hengwei Chen , Jürgen Bajorath : Generative design of compounds with desired potency from target protein sequences using a multimodal biochemical language model. J. Cheminformatics 16 (1 ) : 55 (2024 )export record
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journals/jcheminf/MogireMJMABCDOA24 share record
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Reagan M. Mogire , Silviane A. Miruka , Dennis W. Juma , Case W. McNamara , Ben Andagalu , Jeremy N. Burrows , Elodie Chenu , James Duffy , Bernhards Ogutu , Hoseah M. Akala : Protein target similarity is positive predictor of in vitro antipathogenic activity: a drug repurposing strategy for Plasmodium falciparum. J. Cheminformatics 16 (1 ) : 63 (2024 )export record
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journals/jcisd/GartanKMVCHBBR24 share record
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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 )export record
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journals/jcisd/MatsukiyoYY24 share record
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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 )export record
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journals/jcisd/WangLWDZLXS24 share record
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Shuang Wang , Dingming Liang , Jianmin Wang , Kaiyu Dong , Yunjing Zhang , Huicong Liang , Ximing Xu , Tao Song : FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins. J. Chem. Inf. Model. 64 (9 ) : 3718-3732 (2024 )share record
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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 )export record
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journals/tetc/BacciuEGMPS24 share record
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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 )share record
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Essmily Simon , Sanjay S. Bankapur : Prediction of Drug-Target Interactions Using BERT for Protein Sequences and Drug Compound. COMSNETS 2024 : 436-438 2023 export record
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journals/cbm/MijitWLXCX23 share record
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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 )export record
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journals/cbm/WuWZMSLYZYWXZ23 share record
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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 )share record
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Rahul Singh , Rituraj Purohit : Computational analysis of protein-ligand interaction by targeting a cell cycle restrainer. Comput. Methods Programs Biomed. 231 : 107367 (2023 )export record
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journals/jcc/KalathingalR23 share record
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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 )export record
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journals/jcheminf/ChenWWWLCZYS23 share record
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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 )export record
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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 )export record
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journals/jcisd/AlhamwiAS23 share record
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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 )export record
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journals/jcisd/KurniawanI23 share record
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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 )export record
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journals/jcisd/MostofianMRPASI23 share record
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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 )export record
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journals/jib/DuartePereiraMOS23 share record
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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 )export record
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journals/mbec/ChattopadhyayDFC23 share record
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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 )export record
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journals/nar/MarinoNCFDXAM23 share record
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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 )export record
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journals/netmahib/RanjanKKAM23 share record
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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 )share record
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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 )export record
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journals/titb/MaZLJWGLBJW23 share record
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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 )share record
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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 share record
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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 share record
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Yijia Wu , Yanmei Lin , Yuzhong Peng , Ru Zhang , Li Cai : T-GraphDTA: A Drug-Target Binding Affinity Prediction Framework Based on Protein Pre-training Model and Hybrid Graph Neural Network. ICAI (1) 2023 : 113-123 share record
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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