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Interaction of an anticancer benzopyrane derivative with DNA: Biophysical, biochemical, and molecular modeling studies
Alniss, Hasan Y., Chu, Chen, Ramadan, Wafaa S., Msallam, Yousef A., Srinivasulu, Vunnam, El-Awady, Raafat, Macgregor, Robert B., Al-Tel, Taleb H.
Published in Biochimica et biophysica acta. General subjects (01.06.2023)
Published in Biochimica et biophysica acta. General subjects (01.06.2023)
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Sequence Characterization and Molecular Modeling of Clinically Relevant Variants of the SARS-CoV‑2 Main Protease
Cross, Thomas J, Takahashi, Gemma R, Diessner, Elizabeth M, Crosby, Marquise G, Farahmand, Vesta, Zhuang, Shannon, Butts, Carter T, Martin, Rachel W
Published in Biochemistry (Easton) (06.10.2020)
Published in Biochemistry (Easton) (06.10.2020)
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Homology Molecular Modeling: Perspectives and Applications
Year of Publication 2021
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Characterization of the N- and C-terminal domain interface of the three main apoE isoforms: A combined quantitative cross-linking mass spectrometry and molecular modeling study
Mohammadi, Azadeh, Deroo, Stéphanie, Leitner, Alexander, Stengel, Florian, Krammer, Eva-Maria, Aebersold, Ruedi, Prévost, Martine, Raussens, Vincent
Published in Biochimica et biophysica acta. General subjects (01.04.2025)
Published in Biochimica et biophysica acta. General subjects (01.04.2025)
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Biological activity of quinazoline analogues and molecular modeling of their interactions with G-quadruplexes
Kaneti, Jose, Georgieva, Milena, Rangelov, Miroslav, Philipova, Irena, Vasileva, Bela, Angelov, Ivan, Staneva, Dessislava, Miloshev, George, Bakalova, Snezhana
Published in Biochimica et biophysica acta. General subjects (01.01.2021)
Published in Biochimica et biophysica acta. General subjects (01.01.2021)
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Ni(II) mixed-ligand chelates based on 2-hydroxy-1-naphthaldehyde as antimicrobial agents: Synthesis, characterization, and molecular modeling
Ismael, Mohamed, Abdel-Mawgoud, Abdel-Mawgoud M., Rabia, Mostafa K., Abdou, Aly
Published in Journal of molecular liquids (15.05.2021)
Published in Journal of molecular liquids (15.05.2021)
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Towards Imaging Tau Hyperphosphorylation: Is DYRK1A a Potential Target for Imaging Hyperphosphorylation of Tau? Molecular Modeling Assessment and Synthesis of [125I]Radioiodinated DYRK1A Inhibitor
Paclibar, Cayz G., Schafer, Deanna M., Biju, Agnes P., Karim, Fariha, Sison, Stephanie A., Liang, Christopher, Ahmed, Shamiha T., Mukherjee, Jogeshwar
Published in Molecules (Basel, Switzerland) (21.02.2025)
Published in Molecules (Basel, Switzerland) (21.02.2025)
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Multi-Spectroscopic and Molecular Modeling Studies of Interactions Between Anionic Porphyrin and Human Serum Albumin
Strózik, Tadeusz, Wolszczak, Marian, Hilczer, Maria, Pawlak, Magdalena, Wasiak, Tomasz, Wardęga, Piotr, Ionov, Maksim, Bryszewska, Maria
Published in International journal of molecular sciences (20.11.2024)
Published in International journal of molecular sciences (20.11.2024)
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Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective
Shi, Danfeng, Zhou, Shuangyan, Liu, Xuewei, Zhao, Chenxi, Liu, Huanxiang, Yao, Xiaojun
Published in Biochimica et biophysica acta. General subjects (01.03.2018)
Published in Biochimica et biophysica acta. General subjects (01.03.2018)
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Interaction between the antioxidant compound safranal and α-chymotrypsin in spectroscopic fields and molecular modeling approaches
Zohreh Vahedi, Seyedeh, Farhadian, Sadegh, Shareghi, Behzad, Asgharzadeh, Sanaz
Published in Journal of biomolecular structure & dynamics (23.05.2024)
Published in Journal of biomolecular structure & dynamics (23.05.2024)
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Molecular modeling of methylene blue photosensitizer and its in vivo evaluation against canine fibrosarcoma under light irradiation
Passos, Adriana, Mendonça, Ana Lara, Jesus, Isaias, Paixão, Guilherme A, Silva, Osmar V, de Aguiar, Antônio S N, Dias, Lucas D
Published in Laser physics letters (01.07.2025)
Published in Laser physics letters (01.07.2025)
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Towards Imaging Tau Hyperphosphorylation: Is DYRK1A a Potential Target for Imaging Hyperphosphorylation of Tau? Molecular Modeling Assessment and Synthesis of 125IRadioiodinated DYRK1A Inhibitor
Paclibar, Cayz G, Schafer, Deanna M, Biju, Agnes P, Karim, Fariha, Sison, Stephanie A, Liang, Christopher, Ahmed, Shamiha T, Mukherjee, Jogeshwar
Published in Molecules (Basel, Switzerland) (21.02.2025)
Published in Molecules (Basel, Switzerland) (21.02.2025)
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Towards Imaging Tau Hyperphosphorylation: Is DYRK1A a Potential Target for Imaging Hyperphosphorylation of Tau? Molecular Modeling Assessment and Synthesis of [[sup.125]I]Radioiodinated DYRK1A Inhibitor
Paclibar, Cayz G, Schafer, Deanna M, Biju, Agnes P, Karim, Fariha, Sison, Stephanie A, Liang, Christopher, Ahmed, Shamiha T, Mukherjee, Jogeshwar
Published in Molecules (Basel, Switzerland) (01.03.2025)
Published in Molecules (Basel, Switzerland) (01.03.2025)
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