Locking the 150-cavity open : in silico design and verification of influenza neuraminidase inhibitors by Han, Nanyu, Mu, Yuguang

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Reduction of false positives in structure-based virtual screening when receptor plasticity is considered by Awuni, Yaw, Mu, Yuguang

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Effect of A22 on the conformation of bacterial actin MreB by Awuni, Elvis, Mu, Yuguang

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Initial binding of Ions to the interhelical loops of divalent ion transporter CorA : replica exchange molecular dynamics simulation study by Mu, Yuguang, Zhang, Tong

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Plasticity of 150-loop in influenza neuraminidase explored by Hamiltonian replica exchange molecular dynamics simulations by Han, Nanyu, Mu, Yuguang

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Dissociation of hydrophobic and charged nano particles in aqueous guanidinium chloride and urea solutions : a molecular dynamics study by Li, Weifeng, Mu, Yuguang

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Ligand binding induces agonistic-like conformational adaptations in helix 12 of progesterone receptor ligand binding domain by Zheng, Liangzhen, Xia, Kelin, Mu, Yuguang

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Optimization of replica exchange temperature ladder under the well-tempered ensemble by Liu, Yang, Li, Weifeng, Mu, Yuguang

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Dynamics changes of CRISPR-Cas9 systems induced by high fidelity mutations by Zheng, Liangzhen, Shi, Jiahai, Mu, Yuguang

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Aβ1-25-Derived Sphingolipid-Domain Tracer Peptide SBD Interacts with Membrane Ganglioside Clusters via a Coil-Helix-Coil Motif by Wang, Yaofeng, Kraut, Rachel, Mu, Yuguang

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Structures, interactions and activity of the N-terminal truncated variants of antimicrobial peptide thanatin by Swaleeha Jaan Abdullah, Mu, Yuguang, Bhattacharjya, Surajit

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Exploring the mechanism of Zanamivir resistance in a neuraminidase mutant : a molecular dynamics study by Han, Nanyu, Liu, Xue-Wei, Mu, Yuguang

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Heme prevents amyloid beta peptide aggregation through hydrophobic interaction based on molecular dynamics simulation by Zhao, Li Na, Mu, Yuguang, Chew, Lock Yue

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Dynamically-driven enhancement of the catalytic machinery of the SARS 3C-like protease by the S284-T285-I286/A mutations on the extra domain by Lim, Liangzhong, Shi, Jiahai, Mu, Yuguang, Song, Jianxing

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Conformation-dependent DNA attraction by Nordenskiöld, Lars, Zhou, Ruhong, Mu, Yuguang, Li, Weifeng

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In silico repurposed drugs against monkeypox virus by Lam, Hilbert Yuen In, Guan, Jia Sheng, Mu, Yuguang

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RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning method by Tan, Lai Heng, Kwoh, Chee Keong, Mu, Yuguang

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Identification of residues involved in water versus glycerol selectivity in aquaporins by differential residue pair co-evolution by Lin, Xin, Hong, Tian, Mu, Yuguang, Torres, Jaume

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Proposing drug fragments for dengue virus NS5 protein by Alhossary, Amr, Awuni, Yaw, Kwoh, Chee Keong, Mu, Yuguang

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Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis by Anand, D. Vijay, Meng, Zhenyu, Xia, Kelin, Mu, Yuguang

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