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Study of Glabranin as an Inhibitor Against Prostate Cancer: Molecular Docking, Molecular Dynamics Simulation, MM-PBSA Calculation and QSAR Prediction
Browne, Rene Barbie, Goswami, Nabajyoti, Borah, Probodh, Roy, Jayanti Datta
Published in Indian journal of clinical biochemistry (01.07.2024)
Published in Indian journal of clinical biochemistry (01.07.2024)
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Computational modeling to understand the interaction of TMPyP4 with a G-quadruplex
Liyanage, Senal D., Bowleg, Jerrano L., Gwaltney, Steven R.
Published in Journal of biomolecular structure & dynamics (23.10.2024)
Published in Journal of biomolecular structure & dynamics (23.10.2024)
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Molecular insights into the role of a distal F240A mutation that alters CYP1A1 activity towards persistent organic pollutants
Navrátilová, Veronika, Paloncýová, Markéta, Berka, Karel, Mise, Shintaro, Haga, Yuki, Matsumura, Chisato, Sakaki, Toshiyuki, Inui, Hideyuki, Otyepka, Michal
Published in Biochimica et biophysica acta. General subjects (01.11.2017)
Published in Biochimica et biophysica acta. General subjects (01.11.2017)
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Neomangiferin, a Naturally Occurring Mangiferin Congener, Inhibits Sodium-Glucose Co-transporter-2: An In silico Approach
Olusola, Ayobami J, Famuyiwa, Samson O, Faloye, Kolade O, Olatunji, Oluwaseun E, Olayemi, Uduak I, Adeyemi, Abiodun A, Balogun, John O, Ogundele, Seun B, Babamuyiwa, Blessing O, Patil, Rajesh B
Published in Bioinformatics and biology insights (01.01.2024)
Published in Bioinformatics and biology insights (01.01.2024)
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Mechanism of alkaloid-based inhibition of aldose reductase: Computational perspectives and experimental validations
Kamel, Emadeldin M., Maodaa, Saleh, Othman, Sarah I., Abalkhail, Adil, Aba Alkhayl, Faris F., Lamsabhi, Al Mokhtar
Published in Biochimica et biophysica acta. General subjects (01.08.2025)
Published in Biochimica et biophysica acta. General subjects (01.08.2025)
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Alternative dimerization interfaces in the glucocorticoid receptor-α ligand binding domain
Bianchetti, Laurent, Wassmer, Bianca, Defosset, Audrey, Smertina, Anna, Tiberti, Marion L., Stote, Roland H., Dejaegere, Annick
Published in Biochimica et biophysica acta. General subjects (01.08.2018)
Published in Biochimica et biophysica acta. General subjects (01.08.2018)
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Prediction of Rab5B inhibitors through integrative in silico techniques
Kashyap, Dharmendra, Koirala, Suman, Saini, Vaishali, Bagde, Pranit Hemant, Samanta, Sunanda, Kar, Parimal, Jha, Hem Chandra
Published in Molecular diversity (01.08.2024)
Published in Molecular diversity (01.08.2024)
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Mutants and molecular dockings reveal that the primary L-thyroxine binding site in human serum albumin is not the one which can cause familial dysalbuminemic hyperthyroxinemia
Kragh-Hansen, Ulrich, Minchiotti, Lorenzo, Coletta, Andrea, Bienk, Konrad, Galliano, Monica, Schiøtt, Birgit, Iwao, Yasunori, Ishima, Yu, Otagiri, Masaki
Published in Biochimica et biophysica acta (01.04.2016)
Published in Biochimica et biophysica acta (01.04.2016)
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Apoptotic Potential of Iloneoside from Gongronema latifolium Benth against Prostate Cancer Cells Using In Vitro and In Silico Approach
Gyebi, Gideon A., Afolabi, Saheed O., Ogunyemi, Oludare M., Ibrahim, Ibrahim M., Olorundare, Olufunke E., Adebayo, Joseph O., Koketsu, Mamoru
Published in Cell biochemistry and biophysics (01.03.2025)
Published in Cell biochemistry and biophysics (01.03.2025)
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Identification of potential Zika virus NS2B-NS3 protease inhibitors via docking, molecular dynamics and consensus scoring-based virtual screening
Bowen, Lucy R., Li, Dennis J., Nola, Derek T., Anderson, Marc O., Heying, Michael, Groves, Adam T., Eagon, Scott
Published in Journal of molecular modeling (01.07.2019)
Published in Journal of molecular modeling (01.07.2019)
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Molecular dynamics for computational proteomics of methylated histone H3
Grauffel, Cédric, Stote, Roland H., Dejaegere, Annick
Published in Biochimica et biophysica acta (01.05.2015)
Published in Biochimica et biophysica acta (01.05.2015)
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Design of a Multi-Epitope Vaccine against Tropheryma whipplei Using Immunoinformatics and Molecular Dynamics Simulation Techniques
Albekairi, Thamer H., Alshammari, Abdulrahman, Alharbi, Metab, Alshammary, Amal F., Tahir ul Qamar, Muhammad, Anwar, Tasneem, Ismail, Saba, Shaker, Bilal, Ahmad, Sajjad
Published in Vaccines (Basel) (28.04.2022)
Published in Vaccines (Basel) (28.04.2022)
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Influence of Grid Spacing in Poisson–Boltzmann Equation Binding Energy Estimation
Harris, Robert C, Boschitsch, Alexander H, Fenley, Marcia O
Published in Journal of chemical theory and computation (13.08.2013)
Published in Journal of chemical theory and computation (13.08.2013)
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