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Molecular structural modeling and physical characteristics of anti-breast cancer drugs via some novel topological descriptors and regression models
Meharban, Summeira, Ullah, Asad, Zaman, Shahid, Hamraz, Anila, Razaq, Abdul
Published in Current research in structural biology (01.01.2024)
Published in Current research in structural biology (01.01.2024)
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Unraveling the versatility of human serum albumin – A comprehensive review of its biological significance and therapeutic potential
Ashraf, Sajda, Qaiser, Hina, Tariq, Sumayya, Khalid, Asaad, Makeen, Hafiz A., Alhazmi, Hassan A., Ul-Haq, Zaheer
Published in Current research in structural biology (01.01.2023)
Published in Current research in structural biology (01.01.2023)
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Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations
Nunes-Alves, Ariane, Kokh, Daria B., Wade, Rebecca C.
Published in Current research in structural biology (01.01.2021)
Published in Current research in structural biology (01.01.2021)
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Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study
Saha, Bikram, Das, Agnidipta, Jangid, Kailash, Kumar, Amit, Kumar, Vinod, Jaitak, Vikas
Published in Current research in structural biology (01.01.2024)
Published in Current research in structural biology (01.01.2024)
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Expose flexible conformations for intrinsically disordered protein
Yang, Jiaan, Ji, Wenxin, Cheng, Wen Xiang, Wu, Gang, Sheng, Si Tong, Zhang, Peng, Lin, Jun, Chen, Xiaojia, Shi, Qiong
Published in Current research in structural biology (01.12.2025)
Published in Current research in structural biology (01.12.2025)
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Screening, docking, and molecular dynamics analysis of Mitragyna speciosa (Korth.) compounds for targeting HER2 in breast cancer
Akbar, Nabila Hadiah, Suarantika, Farendina, Fakih, Taufik Muhammad, Haniffadli, Ariranur, Muslimawati, Khoirunnisa, Putra, Aditya Maulana Perdana
Published in Current research in structural biology (01.12.2025)
Published in Current research in structural biology (01.12.2025)
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Functional (re)annotation of Mycobacteroides abscessus proteome using integrative sequence and AI-based structural approaches
Gnanasekar, Pranavathiyani, Gambhir, Simran, Kinatukara, Priyadarshan, Bhardwaj, Anshu
Published in Current research in structural biology (01.12.2025)
Published in Current research in structural biology (01.12.2025)
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Molecular forces driving protein complexation of lentil and whey proteins: Structure-function relationships of trehalose-conjugated protein complexes on protein digestibility and solubility
Alrosan, Mohammad, Madi Almajwal, Ali, Al-Qaisi, Ali, Gammoh, Sana, H. Alu'datt, Muhammad, R. Al Qudsi, Farah, Tan, Thuan-Chew, A. Razzak Mahmood, Ammar, Maghaydah, Sofyan
Published in Current research in structural biology (01.01.2024)
Published in Current research in structural biology (01.01.2024)
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Targeting EGFR allosteric site with marine-natural products of Clathria Sp.: A computational approach
Nurisyah, Ramadhan, Dwi Syah Fitra, Dewi, Ratnasari, asikin, Asyhari, Daswi, Dwi Rachmawaty, adam, Adriyani, Chaerunnimah, Sunarto, Rafika, Artati, Fakih, Taufik Muhammad
Published in Current research in structural biology (2024)
Published in Current research in structural biology (2024)
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AI-based quality assessment methods for protein structure models from cryo-EM
Zhu, Han, Terashi, Genki, Farheen, Farhanaz, Nakamura, Tsukasa, Kihara, Daisuke
Published in Current research in structural biology (01.06.2025)
Published in Current research in structural biology (01.06.2025)
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Identification of cholinesterases inhibitors from flavonoids derivatives for possible treatment of Alzheimer's disease: In silico and in vitro approaches
Sadeghi, Morteza, Seyedebrahimi, Seyedehmasoumeh, Ghanadian, Mustafa, Miroliaei, Mehran
Published in Current research in structural biology (01.01.2024)
Published in Current research in structural biology (01.01.2024)
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