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Prachi Agnihotri, Hemchandra Deka, Debolina Chakraborty, Monu, Mohd Saquib, Uma Kumar & Sagarika Biswas. (2023) Anti-inflammatory potential of selective small compounds by targeting TNF-α & NF-kB signaling: a comprehensive molecular docking and simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Aida Fardanesh, Sedigheh Zibaie, Behdad Shariati, Farnoosh Attar, Fatemeh Rouhollah, Keivan Akhtari, Koroosh Shahpasand, Ali Akbar Saboury & Mojtaba Falahati. (2019) Amorphous aggregation of tau in the presence of titanium dioxide nanoparticles: biophysical, computational, and cellular studies. International Journal of Nanomedicine 14, pages 901-911.
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Jorddy N. Cruz, José F. S. Costa, André S. Khayat, Kamil Kuca, Carlos A. L. Barros & A. M. J. C. Neto. (2019) Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13. Journal of Biomolecular Structure and Dynamics 37:6, pages 1616-1627.
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Kai Chen, Wenxiu Duan, Qianqian Han, Xuan Sun, Wenqian Li, Shuangyun Hu, Jiajia Wan, Jiang Wu, Yushu Ge & Dan Liu. (2019) Identification of the hot spot residues for pyridine derivative inhibitor CCT251455 and ATP substrate binding on monopolar spindle 1 (MPS1) kinase by molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics 37:3, pages 611-622.
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Haiyi Chen, Yue Guo, Shengqing Ye, Jintu Zhang, Haotian Zhang, Na Liu, Rui Zhou, Tingjun Hou, Hongguang Xia, Yu Kang & Mojie Duan. (2023) On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate. Journal of Chemical Information and Modeling.
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Weigang Shu, Yongheng Wang, Chuanding Li, Lei Zhang, Deji Zhuoma, Pengyu Yang, Guorong Yan, Chunqiu Chen, Yongbing Ba, Peng Du & Xiaolei Wang. (2023) Single-cell Expression Atlas Reveals Cell Heterogeneity in the Creeping Fat of Crohn’s Disease. Inflammatory Bowel Diseases 29:6, pages 850-865.
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Emily Ellis, Peter Koetting, Jenna Colton & Chrystal D. Bruce. 2022. Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1. Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1
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Ashraf Hendam, Ahmed Farouk Al-Sadek & Hesham Ahmed Hefny. (2022) Molecular Dynamic Simulation of Neurexin1α Mutations Associated with Mental Disorder. Journal of Molecular Neuroscience 72:11, pages 2252-2272.
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Yong-Guang Gao, Jeffrey McDonald, Lucy Malinina, Dinshaw J. Patel & Rhoderick E. Brown. (2022) Ceramide-1-phosphate transfer protein promotes sphingolipid reorientation needed for binding during membrane interaction. Journal of Lipid Research 63:1, pages 100151.
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Italo Moglia, Margarita Santiago, Simon Guerrero, Mónica Soler, Alvaro Olivera-Nappa & Marcelo J. Kogan. (2021) Enhanced Cellular Uptake of H-Chain Human Ferritin Containing Gold Nanoparticles. Pharmaceutics 13:11, pages 1966.
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Kazuhisa Miyazawa, Satoru G. Itoh, Hiroki Watanabe, Takayuki Uchihashi, Saeko Yanaka, Maho Yagi-Utsumi, Koichi Kato, Kazuharu Arakawa & Hisashi Okumura. (2021) Tardigrade Secretory-Abundant Heat-Soluble Protein Has a Flexible β-Barrel Structure in Solution and Keeps This Structure in Dehydration. The Journal of Physical Chemistry B 125:32, pages 9145-9154.
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Juliana F. Tisca, Karin dos Santos, Tomás B. Pessati, Flávia L. Zacchi, Fabíola S. Soares, Vanessa A. Oliveira, Maria J.A.F. Bebianno, Afonso C.D. Bainy & Guilherme Razzera. (2021) Characterization of a fatty acid-binding protein from the Pacific oyster (Crassostrea gigas): pharmaceutical and toxicological implications. Environmental Science and Pollution Research 28:22, pages 27811-27822.
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G. P. Barletta, G. Franchini, B. Corsico & S. Fernandez-Alberti. (2019) Fatty Acid and Retinol-Binding Protein: Unusual Protein Conformational and Cavity Changes Dictated by Ligand Fluctuations. Journal of Chemical Information and Modeling 59:8, pages 3545-3555.
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Yue Guo, Mojie Duan & Minghui Yang. (2019) The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model. International Journal of Molecular Sciences 20:14, pages 3476.
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Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang & Jianzhong Chen. (2018) Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5. International Journal of Molecular Sciences 19:9, pages 2496.
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