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1دورية أكاديمية
المؤلفون: Henry J. Bailey, Gustavo A. Bezerra, Jason R. Marcero, Siladitya Padhi, William R. Foster, Elzbieta Rembeza, Arijit Roy, David F. Bishop, Robert J. Desnick, Gopalakrishnan Bulusu, Harry A. Dailey, Wyatt W. Yue
المصدر: Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
مصطلحات موضوعية: Science
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2041-1723Test
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2دورية أكاديمية
المؤلفون: Niranjan Suthram, Siladitya Padhi, Payal Jha, Sunanda Bhattacharyya, Gopalakrishnan Bulusu, Arijit Roy, Mrinal Kanti Bhattacharyya
المصدر: mSphere, Vol 5, Iss 6 (2020)
مصطلحات موضوعية: PfBlm, PfWrn, DNA repair, homologous recombination, Plasmodium falciparum, yeast complementation, Microbiology, QR1-502
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2379-5042Test
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3دورية أكاديمية
المصدر: PLoS Computational Biology, Vol 10, Iss 3, p e1003484 (2014)
مصطلحات موضوعية: Biology (General), QH301-705.5
وصف الملف: electronic resource
العلاقة: https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24603363/?tool=EBITest; https://doaj.org/toc/1553-734XTest; https://doaj.org/toc/1553-7358Test
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4دورية أكاديمية
المؤلفون: Sowmya Ramaswamy Krishnan (10030681), Navneet Bung (531966), Sarveswara Rao Vangala (11725075), Rajgopal Srinivasan (5489906), Gopalakrishnan Bulusu (531969), Arijit Roy (2144353)
مصطلحات موضوعية: Biochemistry, Genetics, Molecular Biology, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, pretrained generative model, janus kinase 2, graph attention model, dopamine receptor d2, develop alternative ways, de novo <, data sets remains, bioactivity prediction model, conditional molecule generator, conditional generative model, produce molecules similar, reinforcement learning framework, design potent molecules, pharmacophoric features similar, design new molecules, novel target proteins, active site structure, new molecules, active site, design target, conditional generation, designing molecules
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5دورية أكاديمية
المؤلفون: Sowmya Ramaswamy Krishnan (10030681), Navneet Bung (531966), Gopalakrishnan Bulusu (531969), Arijit Roy (2144353)
مصطلحات موضوعية: Biochemistry, Genetics, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, drug design pipeline, target-specific dataset, ligand-based drug design, Accelerating De Novo Drug Design, target protein, approach, method, molecule, target-specific ligand datasets, model, optimized docking score, JAK 2 protein, drug design process, JAK 2 inhibitors
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6
المؤلفون: Sarveswara Rao Vangala, Navneet Bung, Gopalakrishnan Bulusu, Sowmya Ramaswamy Krishnan, Arijit Roy, Rajgopal Srinivasan
المصدر: Journal of Chemical Information and Modeling. 62:5100-5109
مصطلحات موضوعية: Models, Molecular, biology, Computer science, business.industry, General Chemical Engineering, Deep learning, Proteins, Active site, General Chemistry, Computational biology, Library and Information Sciences, Ligands, Ligand (biochemistry), Computer Science Applications, Generative model, Deep Learning, Drug Design, biology.protein, Reinforcement learning, Graph (abstract data type), Target protein, Artificial intelligence, business, Generator (mathematics)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89bb0594263f964ea372e690c3468729Test
https://doi.org/10.1021/acs.jcim.1c01319Test -
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المؤلفون: Sowmya Ramaswamy Krishnan, Navneet Bung, Siladitya Padhi, Gopalakrishnan Bulusu, Parimal Misra, Manojit Pal, Srinivas Oruganti, Rajgopal Srinivasan, Arijit Roy
المصدر: Journal of molecular graphicsmodelling. 118
مصطلحات موضوعية: Deep Learning, Drug Design, Materials Chemistry, Antitubercular Agents, Mycobacterium tuberculosis, Physical and Theoretical Chemistry, Computer Graphics and Computer-Aided Design, Spectroscopy, Chorismate Mutase
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13a5de74290209c45703aa4dac3f3900Test
https://pubmed.ncbi.nlm.nih.gov/36257148Test -
8
المؤلفون: Jetta, Sandeep Kumar, Rapaka, Naimisha, B, Thirupataiah, Gangireddy, Sujeevan Reddy, Navneet, Bung, Arijit, Roy, Gopalakrishnan, Bulusu, Ankita, Mishra, Prem N, Yadav, Parimal, Misra, Manojit, Pal
المصدر: Bioorganic chemistry. 129
مصطلحات موضوعية: Male, Mice, Mice, Inbred BALB C, Indoles, Animals, Brain, Isoquinolines, Serotonin 5-HT2 Receptor Agonists, Rats
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::b2ce6cce7ee40df7e58e45459b795009Test
https://pubmed.ncbi.nlm.nih.gov/36272252Test -
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المصدر: Future Medicinal Chemistry
مصطلحات موضوعية: Pharmacology, Virtual screening, Protease, Artificial neural network, SARS-CoV-2, business.industry, Deep learning, medicine.medical_treatment, protease inhibitors, COVID-19, deep learning, Computational biology, artificial intelligence, medicine.disease_cause, Chemical space, 3CL protease, Generative model, Drug Discovery, medicine, Molecular Medicine, Protease inhibitor (pharmacology), Artificial intelligence, business, Research Article, Coronavirus
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::949da75f650e7bfaddb03576e234a8e4Test
https://doi.org/10.4155/fmc-2020-0262Test -
10
المصدر: Journal of Chemical Information and Modeling. 61:621-630
مصطلحات موضوعية: Drug, Computer science, General Chemical Engineering, media_common.quotation_subject, Library and Information Sciences, Machine learning, computer.software_genre, 01 natural sciences, 0103 physical sciences, Reinforcement learning, media_common, 010304 chemical physics, business.industry, Deep learning, General Chemistry, Pipeline (software), 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, ComputingMethodologies_PATTERNRECOGNITION, Docking (molecular), Design process, Target protein, Artificial intelligence, Transfer of learning, business, computer
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9ee6696d37cd10500d1b5ef1576fe239Test
https://doi.org/10.1021/acs.jcim.0c01060Test