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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 export record
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journals/corr/abs-2306-13957 share record
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Lei Huang , Zheng Yuan , Huihui Yan , Rong Sheng , Linjing Liu , Fuzhou Wang , Weidun Xie , Nanjun Chen , Fei Huang , Songfang Huang , Ka-Chun Wong , Yaoyun Zhang : DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins. CoRR abs/2306.13957 (2023 )export record
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journals/corr/abs-2309-16685 share record
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Nhat Khang Ngo , Truong Son Hy : Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning. CoRR abs/2309.16685 (2023 )export record
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journals/corr/abs-2310-04017 share record
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Rakesh Bal , Yijia Xiao , Wei Wang : PGraphDTA: Improving Drug Target Interaction Prediction using Protein Language Models and Contact Maps. CoRR abs/2310.04017 (2023 )2022 export record
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journals/bib/ChaiGYLLCSYWXY22 share record
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Mengya Chai , Yajuan Guo , Liu Yang , Jianhui Li , Shuo Liu , Lei Chen , Yuelei Shen , Yi Yang , Youchun Wang , Lida Xu , Changyuan Yu : A high-throughput single cell-based antibody discovery approach against the full-length SARS-CoV-2 spike protein suggests a lack of neutralizing antibodies targeting the highly conserved S2 domain. Briefings Bioinform. 23 (3 ) (2022 )share record
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Yueming Yin , Haifeng Hu , Zhen Yang , Feihu Jiang , Yihe Huang , Jiansheng Wu : AFSE: towards improving model generalization of deep graph learning of ligand bioactivities targeting GPCR proteins. Briefings Bioinform. 23 (3 ) (2022 )export record
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journals/bioinformatics/ChatzigoulasC22 share record
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Alexios Chatzigoulas , Zoe Cournia : DREAMM: a web-based server for drugging protein-membrane interfaces as a novel workflow for targeted drug design. Bioinform. 38 (24 ) : 5449-5451 (2022 )share record
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Shiming Wang , Jie Li , Yadong Wang : M2PP: a novel computational model for predicting drug-targeted pathogenic proteins. BMC Bioinform. 23 (1 ) : 7 (2022 )export record
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journals/bmcbi/XiaXXWWHSG22 share record
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Shengrong Xia , Yingchun Xia , Chulei Xiang , Hui Wang , Chao Wang , Jin He , Guolong Shi , Lichuan Gu : A virus-target host proteins recognition method based on integrated complexes data and seed extension. BMC Bioinform. 23 (1 ) : 256 (2022 )export record
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journals/candc/KarasevSLFP22 share record
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Dmitry A. Karasev , Boris Sobolev , Alexey Lagunin , Dmitry Filimonov , Vladimir Poroikov : The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain. Comput. Biol. Chem. 98 : 107674 (2022 )share record
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Farman Ali , Harish Kumar , Shruti Patil , Ketan Kotecha , Ameen Banjar , Ali Daud : Target-DBPPred: An intelligent model for prediction of DNA-binding proteins using discrete wavelet transform based compression and light eXtreme gradient boosting. Comput. Biol. Medicine 145 : 105533 (2022 )export record
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journals/cbm/DwivediMYD22 share record
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Manish Dwivedi , Sutanu Mukhopadhyay , Shalini Yadav , Kshatresh Dutta Dubey : A multidrug efflux protein in Mycobacterium tuberculosis ; tap as a potential drug target for drug repurposing. Comput. Biol. Medicine 146 : 105607 (2022 )export record
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journals/cbm/EskandarzadeGSD22 share record
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Neda Eskandarzade , Abozar Ghorbani , Samira Samarfard , Jose Diaz , Pietro H. Guzzi , Niloofar Fariborzi , Ahmad Tahmasebi , Keramatollah Izadpanah : Network for network concept offers new insights into host- SARS-CoV-2 protein interactions and potential novel targets for developing antiviral drugs. Comput. Biol. Medicine 146 : 105575 (2022 )share record
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Minfei Ma , Yanqing Yang , Leyun Wu , Liping Zhou , Yulong Shi , Jiaxin Han , Zhijian Xu , Weiliang Zhu : Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses. Comput. Biol. Medicine 145 : 105455 (2022 )export record
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journals/cbm/YuQLHYZWYWXZWZZ22 share record
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Jianhai Yu , Zhiran Qin , Xuling Liu , Xiaoen He , Jinxiu Yao , Xuan Zhou , Kun Wen , Nan Yu , Qinghua Wu , Weiwei Xiao , Li Zhu , Chengsong Wan , Bao Zhang , Wei Zhao : High-specificity targets in SARS-CoV-2 N protein for serological detection and distinction from SARS-CoV. Comput. Biol. Medicine 143 : 105272 (2022 )export record
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journals/fbinf/GallettiAOF22 share record
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Cristiano Galletti , Joaquim Aguirre-Plans , Baldo Oliva , Narcis Fernandez-Fuentes : Prediction of Adverse Drug Reaction Linked to Protein Targets Using Network-Based Information and Machine Learning. Frontiers Bioinform. 2 (2022 )export record
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journals/gpb/LiuLJLGHLQYHL22 share record
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Zhongyang Liu , Honglei Li , Zhaoyu Jin , Yang Li , Feifei Guo , Yangzhige He , Xinyue Liu , Yaning Qi , Liying Yuan , Fuchu He , Dong Li : Exploration of Target Spaces in the Human Genome for Protein and Peptide Drugs. Genom. Proteom. Bioinform. 20 (4 ) : 780-794 (2022 )export record
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journals/gpb/ZhangBCDCSZZGZLFTL22 share record
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Wubing Zhang , Shourya S. Roy Burman , Jiaye Chen , Katherine A. Donovan , Yang Cao , Chelsea Shu , Boning Zhang , Zexian Zeng , Shengqing Gu , Yi Zhang , Dian Li , Eric S. Fischer , Collin Tokheim , X. Shirley Liu : Machine Learning Modeling of Protein-intrinsic Features Predicts Tractability of Targeted Protein Degradation. Genom. Proteom. Bioinform. 20 (5 ) : 882-898 (2022 )export record
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journals/jcamd/DelaunayH22 share record
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Maxence Delaunay , Tâp Ha-Duong : Des3PI: a fragment-based approach to design cyclic peptides targeting protein-protein interactions. J. Comput. Aided Mol. Des. 36 (8 ) : 605-621 (2022 )share record
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Rodrigo Ochoa , Pilar Cossio , Thomas Fox : Protocol for iterative optimization of modified peptides bound to protein targets. J. Comput. Aided Mol. Des. 36 (11 ) : 825-835 (2022 )share record
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Alice E. Brankin , Philip Fowler : Predicting antibiotic resistance in complex protein targets using alchemical free energy methods. J. Comput. Chem. 43 (26 ) : 1771-1782 (2022 )share record
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Ingoo Lee , Hojung Nam : Sequence-based prediction of protein binding regions and drug-target interactions. J. Cheminformatics 14 (1 ) : 5 (2022 )export record
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journals/jcisd/BogadoVCASP22 share record
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María Lucrecia Bogado , Roxana Noelia Villafañe , José Leonardo Gómez Chavez , Emilio Luis Angelina , Gladis Laura Sosa , Nélida María Peruchena : Targeting Protein Pockets with Halogen Bonds: The Role of the Halogen Environment. J. Chem. Inf. Model. 62 (24 ) : 6494-6507 (2022 )export record
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journals/jcisd/DelgadoWPV22 share record
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Julián A. Delgado , Vered Wineman-Fisher , Sagar Pandit , Sameer Varma : Inclusion of High-Field Target Data in AMOEBA's Calibration Improves Predictions of Protein-Ion Interactions. J. Chem. Inf. Model. 62 (19 ) : 4713-4726 (2022 )share record
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Wenqing Li , Jiabin Zhang , Li Guo , Qiantao Wang : Importance of Three-Body Problems and Protein-Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. 62 (3 ) : 523-532 (2022 )export record
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journals/jcisd/LiZXLZAZKZWYLJY22 share record
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Xiao Li , Lun Zhang , Jing Xu , Chenyu Liu , Xiaojian Zhang , Amr Abbas Abdelmoneim , Qian Zhang , Jiaqi Ke , Yingnan Zhang , Lei Wang , Fan Yang , Cheng Luo , Jia Jin , Fei Ye : Identification, Synthesis, and Biological Evaluations of Potent Inhibitors Targeting Type I Protein Arginine Methyltransferases. J. Chem. Inf. Model. 62 (3 ) : 692-702 (2022 )export record
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journals/jcisd/MayolDATM22 share record
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Gonzalo F. Mayol , Lucas A. Defelipe , Juan Pablo Arcon , Adrian Gustavo Turjanski , Marcelo A. Marti : Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs. J. Chem. Inf. Model. 62 (15 ) : 3577-3588 (2022 )share record
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Moolchand Sharma , Suman Deswal : DeepFNN-DTBA: prediction of drug-target binding affinity via feed-forward neural network on drug-protein sequences. J. Electronic Imaging 32 (5 ) (2022 )share record
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R. Gowri , R. Rathipriya : Non-swarm-based computational approach for mining cancer drug target modules in protein interaction network. Medical Biol. Eng. Comput. 60 (7 ) : 1947-1976 (2022 )share record
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Hai Fang : PiER: web-based facilities tailored for genetic target prioritisation harnessing human disease genetics, functional genomics and protein interactions. Nucleic Acids Res. 50 (W1 ) : 583-592 (2022 )