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المؤلفون: Yashwant Kumar, Amrita B. Hazra, Reman K. Singh
المصدر: ChemBioChem. 22:3414-3424
مصطلحات موضوعية: Cytidine triphosphate, biology, Kinase, Cytidine Triphosphate, Methanococcus, Organic Chemistry, Temperature, Methanocaldococcus jannaschii, Flavin mononucleotide, Methanococcus maripaludis, Flavin group, Protein Engineering, Riboflavin kinase, biology.organism_classification, Biochemistry, Phosphotransferases (Alcohol Group Acceptor), chemistry.chemical_compound, chemistry, Molecular Medicine, heterocyclic compounds, Molecular Biology, Phylogeny, Thermostability
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2
المؤلفون: Amal Vijay, Venkata Sai Sreyas Adury, Reman K. Singh, Arnab Mukherjee, Rituparno Chowdhury
المصدر: Chemistry, an Asian Journal
مصطلحات موضوعية: Models, Molecular, human ACE2, Protein Conformation, Structural similarity, Computational biology, Spike protein, 010402 general chemistry, Antiviral Agents, 01 natural sciences, Biochemistry, Protein structure, Humans, Computer Simulation, Repurposing, Full Paper, SARS-CoV-2, 010405 organic chemistry, Chemistry, Organic Chemistry, Drug Repositioning, Metadynamics, COVID-19, Spike Protein, de Novo drug design, General Chemistry, Full Papers, free energy, molecular dynamics, COVID-19 Drug Treatment, 0104 chemical sciences, Drug repositioning, Docking (molecular), Drug Design, Spike Glycoprotein, Coronavirus, docking, Thermodynamics, Spike (software development), repurposing therapeutics, well-tempered metadynamics
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3
المؤلفون: Arnab Mukherjee, Reman K. Singh
المصدر: The Journal of Physical Chemistry B. 125:3752-3762
مصطلحات موضوعية: Intercalation (chemistry), Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Molecular dynamics, chemistry.chemical_compound, 0103 physical sciences, Materials Chemistry, Native state, Amino Acids, Physical and Theoretical Chemistry, Transcription factor, chemistry.chemical_classification, 010304 chemical physics, Metadynamics, DNA, 0104 chemical sciences, Surfaces, Coatings and Films, Amino acid, chemistry, Nucleic acid, Biophysics, Nucleic Acid Conformation, lipids (amino acids, peptides, and proteins), Transcription Factors
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المؤلفون: Yung Sam Kim, Arnab Mukherjee, Hyejin Kwon, Somnath M. Kashid, Reman K. Singh, Jin Gyu Seol, Sayan Bagchi
المصدر: The Journal of Physical Chemistry B. 125:479-483
مصطلحات موضوعية: chemistry.chemical_classification, chemistry.chemical_compound, chemistry, Amide, Materials Chemistry, Physical and Theoretical Chemistry, Tautomer, Medicinal chemistry, Surfaces, Coatings and Films, Divalent
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المؤلفون: Reman K. Singh, Amrita B. Hazra, Yashwant Kumar
مصطلحات موضوعية: chemistry.chemical_compound, Cytidine triphosphate, biology, chemistry, Biochemistry, Kinase, Methanocaldococcus jannaschii, Flavin mononucleotide, Methanococcus maripaludis, Flavin group, biology.organism_classification, Riboflavin kinase, Thermostability
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::76bf7611dfe1da26e0952bdd97889756
https://doi.org/10.1101/2021.04.15.440061 -
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المؤلفون: Aditya Upadhyaya, Ishika Pramanick, Mohammad Suhail Khan, Sameer Kumar Malladi, Parismita Kalita, Gautham Nadig, Kawkab Kanjo, Suvankar Dutta, Karthika Thankamani, Raghavan Varadarajan, Savitha Gayathri, Nidhi Girish, Shailendra Mani, Reman K. Singh, Syed Moiz Ahmed, Sankar Bhattacharyya, Jeswin Joseph, M. K. Bhasin, Raj Vs, Suman Pandey, Poorvi Reddy
مصطلحات موضوعية: Immunogen, Ectodomain, medicine.medical_treatment, Protein subunit, Immunogenicity, medicine, Protein Fragment, Biology, Adjuvant, Virology, Virus, Viral vector
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::47992898efed5573b75e0928184026e8
https://doi.org/10.1101/2020.08.15.252437 -
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8
المؤلفون: Hyejin Kwon, Somnath M. Kashid, Arnab Mukherjee, Yung Sam Kim, Reman K. Singh, Sayan Bagchi
المصدر: The journal of physical chemistry. B. 123(40)
مصطلحات موضوعية: Hofmeister series, Molecular Conformation, Biomolecular structure, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Divalent, Molecular dynamics, chemistry.chemical_compound, Isomerism, Computational chemistry, Amide, 0103 physical sciences, Materials Chemistry, Magnesium, Physical and Theoretical Chemistry, chemistry.chemical_classification, Aqueous solution, 010304 chemical physics, Hydrogen bond, Water, Tautomer, Amides, 0104 chemical sciences, Surfaces, Coatings and Films, chemistry, Calcium
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9
المصدر: The Journal of Physical Chemistry B. 121:550-564
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, animal diseases, Scrapie, Molecular Dynamics Simulation, Prion Proteins, 03 medical and health sciences, 0302 clinical medicine, Pressure, Materials Chemistry, Native state, Humans, Physical and Theoretical Chemistry, Prion protein, Protein Unfolding, Chemistry, Mechanism (biology), Temperature, Metadynamics, Hydrogen-Ion Concentration, nervous system diseases, Surfaces, Coatings and Films, Crystallography, 030104 developmental biology, Biophysics, 030217 neurology & neurosurgery
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10
المؤلفون: B. E. Reddy, Gang Zhao, Y. Bharat Kumar, Reman K. Singh
مصطلحات موضوعية: Physics, Core (optical fiber), Astrophysics - Solar and Stellar Astrophysics, 010308 nuclear & particles physics, Space and Planetary Science, 0103 physical sciences, FOS: Physical sciences, Astronomy and Astrophysics, Astrophysics, Twist, 010303 astronomy & astrophysics, 01 natural sciences, Solar and Stellar Astrophysics (astro-ph.SR)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cab14f93df371532f999faf51432982a
http://arxiv.org/abs/1804.10955