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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 )export record
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journals/netmahib/RanjanSDM22 share record
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Amit Ranjan , Shivansh Shukla , Deepanjan Datta , Rajiv Misra : Generating novel molecule for target protein (SARS-CoV-2) using drug-target interaction based on graph neural network. Netw. Model. Anal. Health Informatics Bioinform. 11 (1 ) : 6 (2022 )share record
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Ying Liu , Ruihui Li , Jiawei Luo , Zhaolei Zhang : Inferring RNA-binding protein target preferences using adversarial domain adaptation. PLoS Comput. Biol. 18 (2 ) (2022 )export record
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journals/symmetry/AmirochIMFN22 share record
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Siti Amiroch , Mohammad Isa Irawan , Imam Mukhlash , Mohammad Hamim Zajuli Al Faroby , Chairul Anwar Nidom : Machine Learning for the Prediction of Antiviral Compounds Targeting Avian Influenza A/H9N2 Viral Proteins. Symmetry 14 (6 ) : 1114 (2022 )share record
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Meng Liu , Youzhi Luo , Kanji Uchino , Koji Maruhashi , Shuiwang Ji : Generating 3D Molecules for Target Protein Binding. ICML 2022 : 13912-13924 share record
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Julie Ledoux , Maxim Stolyarchuk , Luba Tchertanov : Human Vitamin K Epoxide Reductase as a Target of Its Redox Protein. IWBBIO (2) 2022 : 138-141 export record
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journals/corr/abs-2204-09410 share record
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Meng Liu , Youzhi Luo , Kanji Uchino , Koji Maruhashi , Shuiwang Ji : Generating 3D Molecules for Target Protein Binding. CoRR abs/2204.09410 (2022 )export record
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journals/corr/abs-2205-10473 share record
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Andrew D. McNaughton , Mridula S. Bontha , Carter R. Knutson , Jenna A. Pope , Neeraj Kumar : De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning. CoRR abs/2205.10473 (2022 )export record
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journals/corr/abs-2211-11214 share record
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Haitao Lin , Yufei Huang , Meng Liu , Xuanjing Li , Shuiwang Ji , Stan Z. Li : DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding. CoRR abs/2211.11214 (2022 )export record
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journals/corr/abs-2211-13898 share record
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Dimitris P. Papamichail , Madeline Febinger , Shm Almeda , Georgios Papamichail : Synthesis Cost-Optimal Targeted Mutant Protein Libraries. CoRR abs/2211.13898 (2022 )2021 export record
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journals/bib/AhammadAMATTFAS21 share record
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Foysal Ahammad , Rahat Alam , Rasel Mahmud , Shahina Akhter , Enamul Kabir Talukder , Al Mahmud Tonmoy , Salman Fahim , Khalid Al-Ghamdi , Abdus Samad , Ishtiaq Qadri : Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein. Briefings Bioinform. 22 (5 ) (2021 )share record
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Qifeng Bai , Shuoyan Tan , Tingyang Xu , Huanxiang Liu , Junzhou Huang , Xiaojun Yao : MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. Briefings Bioinform. 22 (3 ) (2021 )share record
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Abdul Arif Khan , Zakir Khan : Comparative host-pathogen protein-protein interaction analysis of recent coronavirus outbreaks and important host targets identification. Briefings Bioinform. 22 (2 ) : 1206-1214 (2021 )share record
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Cristian D. Loaiza , Naveen Duhan , Matthew Lister , Rakesh Kaundal : In silico prediction of host-pathogen protein interactions in melioidosis pathogen Burkholderia pseudomallei and human reveals novel virulence factors and their targets. Briefings Bioinform. 22 (3 ) (2021 )export record
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journals/biosystems/DAcunto21 share record
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Mario D'Acunto : Protein-DNA target search relies on quantum walk. Biosyst. 201 : 104340 (2021 )share record
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Ariele Viacava Follis : Centrality of drug targets in protein networks. BMC Bioinform. 22 (3 ) : 527 (2021 )share record
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Kubra Akyol , Deryanur Kilic : Discovery of novel and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B): Virtual screening and molecular dynamic simulation. Comput. Biol. Medicine 139 : 104959 (2021 )export record
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journals/cbm/ErukainureAMRAK21 share record
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Ochuko L. Erukainure , Olubunmi Atolani , Aliyu Muhammad , Rahul Ravichandran , Musa M. Abarshi , Sanusi B. Katsayal , Chika I. Chukwuma , Robert Preissner , Priyanka Banerjee , M. Ahmed Mesaik : Translational suppression of SARS-COV-2 ORF8 protein mRNA as a Viable therapeutic target against COVID-19: Computational studies on potential roles of isolated compounds from Clerodendrum volubile leaves. Comput. Biol. Medicine 139 : 104964 (2021 )export record
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journals/cbm/GarciaHKAWPTDVH21 share record
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Rolando García , Anas Hussain , Prasad Koduru , Murat Atis , Kathleen Wilson , Jason Y. Park , Inimary T. Toby , Kimberly Diwa , Lavang Vu , Samuel Ho , Fajar Adnan , Ashley Nguyen , Andrew Cox , Timothy Kirtek , Patricia García , Yanhui Li , Heather Jones , Guanglu Shi , Allen Green , David Rosenbaum : Identification of potential antiviral compounds against SARS-CoV-2 structural and non structural protein targets: A pharmacoinformatics study of the CAS COVID-19 dataset. Comput. Biol. Medicine 133 : 104364 (2021 )export record
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journals/cbm/MishraBPAAT21 share record
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Ganesh Prasad Mishra , Rajendra N. Bhadane , Debadash Panigrahi , Haneen A. Amawi , Charles R. Asbhy Jr. , Amit K. Tiwari : The interaction of the bioflavonoids with five SARS-CoV-2 proteins targets: An in silico study. Comput. Biol. Medicine 134 : 104464 (2021 )export record
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journals/cbm/SkariyachanGMUN21 share record
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Sinosh Skariyachan , Dharshini Gopal , Aditi G. Muddebihalkar , Akshay Uttarkar , Vidya Niranjan : Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies. Comput. Biol. Medicine 132 : 104325 (2021 )export record
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journals/ijaip/SahaPCBN21 share record
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Sovan Saha , Abhimanyu Prasad , Piyali Chatterjee , Subhadip Basu , Mita Nasipuri : Modified FPred-Apriori : improving function prediction of target proteins from essential neighbours by finding their association with relevant functional groups using Apriori algorithm. Int. J. Adv. Intell. Paradigms 19 (1 ) : 61-83 (2021 )share record
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Yang Li , Xiaozhang Liu , Zhu-Hong You , Li-Ping Li , Jian-Xin Guo , Zheng Wang : A computational approach for predicting drug-target interactions from protein sequence and drug substructure fingerprint information. Int. J. Intell. Syst. 36 (1 ) : 593-609 (2021 )export record
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journals/jcc/Sixto-LopezM21 share record
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Yudibeth Sixto-López , Marlet Martínez-Archundia : Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment. J. Comput. Chem. 42 (13 ) : 897-907 (2021 )export record
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journals/jcisd/FreidelA21 share record
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Matthew R. Freidel , Roger S. Armen : Modeling the Structure-Activity Relationship of Arbidol Derivatives and Other SARS-CoV-2 Fusion Inhibitors Targeting the S2 Segment of the Spike Protein. J. Chem. Inf. Model. 61 (12 ) : 5906-5922 (2021 )share record
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Jun Hu , Liang Rao , Yi-Heng Zhu , Gui-Jun Zhang , Dong-Jun Yu : TargetDBP+: Enhancing the Performance of Identifying DNA-Binding Proteins via Weighted Convolutional Features. J. Chem. Inf. Model. 61 (1 ) : 505-515 (2021 )share record
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Dong-Gun Kim , Yoonjoo Choi , Hak-Sung Kim : Epitopes of Protein Binders Are Related to the Structural Flexibility of a Target Protein Surface. J. Chem. Inf. Model. 61 (4 ) : 2099-2107 (2021 )export record
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journals/jcisd/Nunes-AlvesOW21 share record
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Ariane Nunes-Alves , Fabian Ormersbach , Rebecca C. Wade : Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis. J. Chem. Inf. Model. 61 (7 ) : 3708-3721 (2021 )