المؤلفون: Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Sayan Poddar, Parimal Kar

المصدر: Frontiers in Molecular Biosciences, Vol 7 (2020)

مصطلحات موضوعية: SARS-CoV-2, nsp16/nsp10, molecular dynamics, PCA, MM-PBSA, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2020.590165/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/2a6317aa82424ce585ddf155035719d1

المؤلفون: Sayan Poddar, Rajarshi Roy, Parimal Kar

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Biotechnology, Sociology, Infectious Diseases, Virology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Hepatitis C virus (HCV), E2 glycoprotein, N-glycans, molecular dynamics, conformational dynamics

Relation: https://figshare.com/articles/journal_contribution/The_conformational_dynamics_of_Hepatitis_C_Virus_E2_glycoprotein_with_the_increasing_number_of_i_N_i_-glycosylation_unraveled_by_molecular_dynamics_simulations/25274274

الاتاحة: https://doi.org/10.6084/m9.figshare.25274274.v1
https://figshare.com/articles/journal_contribution/The_conformational_dynamics_of_Hepatitis_C_Virus_E2_glycoprotein_with_the_increasing_number_of_i_N_i_-glycosylation_unraveled_by_molecular_dynamics_simulations/25274274

المؤلفون: Sayan Poddar, Rajarshi Roy, Parimal Kar

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Immunology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Rotavirus, HBGA, VP8* domain, spike protein, molecular dynamics

Relation: https://figshare.com/articles/journal_contribution/Elucidating_the_conformational_dynamics_of_histo-blood_group_antigens_and_their_interactions_with_the_rotavirus_spike_protein_through_computational_lens/24475049

الاتاحة: https://doi.org/10.6084/m9.figshare.24475049.v1
https://figshare.com/articles/journal_contribution/Elucidating_the_conformational_dynamics_of_histo-blood_group_antigens_and_their_interactions_with_the_rotavirus_spike_protein_through_computational_lens/24475049

المؤلفون: Suman Koirala, Sunanda Samanta, Subhasmita Mahapatra, Kapil Dattatray Ursal, Sayan Poddar, Parimal Kar

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Pharmacology, Biotechnology, Cancer, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Monkeypox, thymidylate kinase, virtual screening, molecular dynamics, MM-PBSA

Relation: https://figshare.com/articles/journal_contribution/Molecular_level_investigation_for_identifying_potential_inhibitors_against_thymidylate_kinase_of_monkeypox_through_i_in_silico_i_approaches/24475147

الاتاحة: https://doi.org/10.6084/m9.figshare.24475147.v1
https://figshare.com/articles/journal_contribution/Molecular_level_investigation_for_identifying_potential_inhibitors_against_thymidylate_kinase_of_monkeypox_through_i_in_silico_i_approaches/24475147

المؤلفون: Rajarshi Roy (726268), Nisha Amarnath Jonniya (8829047), Sayan Poddar (8829050), Md Fulbabu Sk (7488317), Parimal Kar (1330071)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Evolutionary Biology, Immunology, Cancer, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, potential antiviral target, e ., mers, differential deisgylating activities, cumulative simulation length, complete crystal structure, cellular proteins conjugated, additional proteolytic activities, openness varies across, plpro include deubiquitination, multiscale simulation study, human isg15 protein, plpro toward hisg15, mcov ), sars, isg15 ), introduced across, human interferon, three plpro, plpro complexation

Relation: https://figshare.com/articles/journal_contribution/Unraveling_the_Molecular_Mechanism_of_Recognition_of_Human_Interferon-Stimulated_Gene_Product_15_by_Coronavirus_Papain-Like_Proteases_A_Multiscale_Simulation_Study/17029393

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00918.s001

المؤلفون: Rajarshi Roy (726268), Md Fulbabu Sk (7488317), Nisha Amarnath Jonniya (8829047), Sayan Poddar (8829050), Parimal Kar (1330071)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Pharmacology, Biotechnology, Immunology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, SARS-CoV-2 3CLpro, virtual screening, ADMET, molecular dynamics, MM/GBSA

Relation: https://figshare.com/articles/journal_contribution/Finding_potent_inhibitors_against_SARS-CoV-2_main_protease_through_virtual_screening_ADMET_and_molecular_dynamics_simulation_studies/14179059

الاتاحة: https://doi.org/10.6084/m9.figshare.14179059.v1

المؤلفون: Nisha Amarnath Jonniya, Sayan Poddar, Subhasmita Mahapatra, Parimal Kar

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f686f97ed46d09f182347740f1710fb5
https://doi.org/10.21203/rs.3.rs-2476042/v1

المؤلفون: Rajarshi Roy, Sayan Poddar, Md Fulbabu Sk, Parimal Kar

المصدر: Journal of biomolecular structuredynamics.

مصطلحات موضوعية: Structural Biology, General Medicine, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00105dd672d47fc72cbe35c4862a0de7
https://pubmed.ncbi.nlm.nih.gov/35262462

المؤلفون: Rajarshi Roy, Sayan Poddar, Parimal Kar

المصدر: SSRN Electronic Journal.

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::48d45a578c2c2a4361d3543ff5dd4d37
https://doi.org/10.2139/ssrn.4113756

المؤلفون: Ranjana Das*, Arunima De, Sayan Poddar, Chiranjib Bhattacharjee

المصدر: Global Journal of Engineering Science and Research Management, 3(12), 98-107, (2016-12-30)

مصطلحات موضوعية: Bacterial culture, textile dye, decolorization, methylene blue, rhodamine B, reactive green 19

Relation: https://doi.org/; https://doi.org/10.5281/zenodo.225190; oai:zenodo.org:225190

الاتاحة: https://doi.org/10.5281/zenodo.225190

المؤلفون: Rajarshi Roy, Sayan Poddar, Parimal Kar

المصدر: Carbohydrate Research. 522:108700

مصطلحات موضوعية: Polysaccharides, Organic Chemistry, Solvents, Molecular Conformation, Water, Hydrogen Bonding, General Medicine, Molecular Dynamics Simulation, Biochemistry, Analytical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c1bbbd2072045864bc25055c57be3d0
https://doi.org/10.1016/j.carres.2022.108700

المؤلفون: Parimal Kar, Rajarshi Roy, Fulbabu Sk, Sayan Poddar, Nisha Amarnath Jonniya

المصدر: Journal of Chemical Information and Modeling

مصطلحات موضوعية: Proteases, General Chemical Engineering, viruses, Coronavirus Papain-Like Proteases, Library and Information Sciences, medicine.disease_cause, Antiviral Agents, Article, Gene product, Ubiquitin, medicine, Humans, Ubiquitins, Coronavirus, biology, Chemistry, SARS-CoV-2, Interferon-stimulated gene, COVID-19, General Chemistry, ISG15, Computer Science Applications, Cell biology, Docking (molecular), biology.protein, Cytokines, Interferons, Deubiquitination

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70f8fe0c7333dfae3b80be120f788d68
https://pubmed.ncbi.nlm.nih.gov/34784198

المؤلفون: Rajarshi, Roy, Anurag, Mishra, Sayan, Poddar, Debasis, Nayak, Parimal, Kar

المصدر: Journal of biomolecular structuredynamics. 40(5)

مصطلحات موضوعية: Nucleoproteins, RNA, Molecular Dynamics Simulation, Peste-des-petits-ruminants virus, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::7ac6669daed42ca18e4c809ceb12d606
https://pubmed.ncbi.nlm.nih.gov/33089759

المؤلفون: Rajarshi Roy, Sayan Poddar, Parimal Kar

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63129940e1ec2797da17faaf2c7d642c
https://doi.org/10.26434/chemrxiv.12720644

المؤلفون: Rajarshi Roy, Nisha Amarnath Jonniya, Fulbabu Sk, Sayan Poddar, Parimal Kar

مصطلحات موضوعية: Drug, 2019-20 coronavirus outbreak, Coronavirus disease 2019 (COVID-19), medicine.drug_class, viruses, media_common.quotation_subject, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), medicine.medical_treatment, Computational biology, Biology, Molecular Dynamics Simulation, Ligands, Antiviral Agents, Molecular dynamics, Docking (dog), Structural Biology, medicine, Humans, Protease Inhibitors, skin and connective tissue diseases, Molecular Biology, Coronavirus 3C Proteases, media_common, Virtual screening, Protease, SARS-CoV-2, Chemistry, fungi, General Medicine, Virology, respiratory tract diseases, COVID-19 Drug Treatment, body regions, Molecular Docking Simulation, Cysteine Endopeptidases, Antiviral drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ed392ec3de4484f855f3265ba1dbe45
https://doi.org/10.26434/chemrxiv.12702215

المؤلفون: Sayan Poddar, Parimal Kar, Nisha Amarnath Jonniya, Rajarshi Roy, Fulbabu Sk

المصدر: Frontiers in Molecular Biosciences
Frontiers in Molecular Biosciences, Vol 7 (2020)

مصطلحات موضوعية: 0301 basic medicine, 030103 biophysics, RNA Stability, Methyltransferase, Dimer, Peptide, Molecular mechanics, Biochemistry, Genetics and Molecular Biology (miscellaneous), Biochemistry, Hydrophobic effect, 03 medical and health sciences, Molecular dynamics, chemistry.chemical_compound, Molecular Biosciences, lcsh:QH301-705.5, Molecular Biology, Original Research, chemistry.chemical_classification, PCA, SARS-CoV-2, Chemistry, nsp16/nsp10, Alanine scanning, molecular dynamics, MM-PBSA, 030104 developmental biology, lcsh:Biology (General), Biophysics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b00f09e59adac30d0b10d2ba165a0845
https://doi.org/10.26434/chemrxiv.12608795

المؤلفون: Nisha Amarnath Jonniya, Fulbabu Sk, Sayan Poddar, Rajarshi Roy, Parimal Kar

المصدر: Journal of Biomolecular Structure and Dynamics
Journal of Biomolecular Structure & Dynamics

مصطلحات موضوعية: Stereochemistry, medicine.drug_class, medicine.medical_treatment, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), 030303 biophysics, SARS-CoV-2 3CLpro, Molecular Dynamics Simulation, Molecular Dynamics, Molecular mechanics, 03 medical and health sciences, Molecular dynamics, symbols.namesake, Computational chemistry, Structural Biology, medicine, Protease Inhibitors, Molecular Biology, Coronavirus 3C Proteases, Darunavir, binding free energy, 0303 health sciences, Protease, SARS-CoV-2, Chemistry, Intermolecular force, COVID-19, Lopinavir, General Medicine, MM-PBSA, symbols, Antiviral drug, van der Waals force, Research Article, Peptide Hydrolases, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c8bc67802c3076204419937a42a95db
https://doi.org/10.26434/chemrxiv.12084207

المؤلفون: Debasis Nayak, Parimal Kar, Anurag Mishra, Rajarshi Roy, Sayan Poddar

مصطلحات موضوعية: Molecular dynamics, Molecular model, Structural Biology, Chemistry, Intermolecular force, Wild type, Biophysics, RNA, General Medicine, Molecular Biology, Molecular mechanics, Accessible surface area, Nucleoprotein

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b6afa518db2e98310760a06e0bfa486

المؤلفون: Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Sayan Poddar, Parimal Kar

مصطلحات موضوعية: Biochemistry, Molecular Biology, Structural Biology, Enzymes, Protein Trafficking, Proteomics and Intermolecular Interactions (excl. Medical Proteomics), Receptors and Membrane Biology, Signal Transduction, Structural Biology (incl. Macromolecular Modelling), Synthetic Biology, SARS-CoV-2, nsp16/nsp10, molecular dynamics, PCA, MM-PBSA

Relation: https://figshare.com/articles/dataset/Data_Sheet_1_Computational_Investigation_of_Structural_Dynamics_of_SARS-CoV-2_Methyltransferase-Stimulatory_Factor_Heterodimer_nsp16_nsp10_Bound_to_the_Cofactor_SAM_PDF/13278533

الاتاحة: https://doi.org/10.3389/fmolb.2020.590165.s001
https://figshare.com/articles/dataset/Data_Sheet_1_Computational_Investigation_of_Structural_Dynamics_of_SARS-CoV-2_Methyltransferase-Stimulatory_Factor_Heterodimer_nsp16_nsp10_Bound_to_the_Cofactor_SAM_PDF/13278533

المؤلفون: Pinak Chakrabarti, Sayan Poddar, Devlina Chakravarty

المصدر: Nucleic Acids Research

مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Protein Conformation, Plasma protein binding, Biology, DNA-binding protein, Molecular Docking Simulation, 03 medical and health sciences, chemistry.chemical_compound, Protein structure, Genetics, Protein Interaction Domains and Motifs, Binding site, Binding Sites, Hydrogen bond, Computational Biology, Hydrogen Bonding, DNA, DNA-Binding Proteins, Crystallography, 030104 developmental biology, chemistry, Docking (molecular), Multiprotein Complexes, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::208438259523386e74cbb02cfc10cb19
https://pubmed.ncbi.nlm.nih.gov/29534202