Towards High‐Throughput Modelling of Copper Reactivity Induced by Structural Disorder in Amyloid Peptides von La Penna, Giovanni, Li, Mai Suan

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Aggregation rate of amyloid beta peptide is controlled by beta-content in monomeric state von Thu, Tran Thi Minh, Co, Nguyen Truong, Tu, Ly Anh, Li, Mai Suan

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Generalization of the elastic network model for the study of large conformational changes in biomolecules von Poma, Adolfo B, Li, Mai Suan, Theodorakis, Panagiotis E

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Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies von Poma, Adolfo B, Guzman, Horacio V, Li Mai Suan, Theodorakis, Panagiotis E

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Erythromycin leads to differential protein expression through differences in electrostatic and dispersion interactions with nascent proteins von Nguyen, Hoang Linh, Pham, Dang Lan, O’Brien, Edward P., Li, Mai Suan

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Biomolecules under mechanical force von Kumar, Sanjay, Li, Mai Suan

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Antibody–nanobody combination increases their neutralizing activity against SARS-CoV-2 and nanobody H11-H4 is effective against Alpha, Kappa and Delta variants von Nguyen, Hung, Li, Mai Suan

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Bexarotene cannot reduce amyloid beta plaques through inhibition of production of amyloid beta peptides: in silico and in vitro study von Pham, Huy Dinh Quoc, Thai, Nguyen Quoc, Bednarikova, Zuzana, Linh, Huynh Quang, Gazova, Zuzana, Li, Mai Suan

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Preformed template fluctuations promote fibril formation: insights from lattice and all-atom models von Kouza, Maksim, Co, Nguyen Truong, Nguyen, Phuong H, Kolinski, Andrzej, Li, Mai Suan

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Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis von Nguyen, Phuong H, Ramamoorthy, Ayyalusamy, Sahoo, Bikash R, Zheng, Jie, Faller, Peter, Straub, John E, Dominguez, Laura, Shea, Joan-Emma, Dokholyan, Nikolay V, De Simone, Alfonso, Ma, Buyong, Nussinov, Ruth, Najafi, Saeed, Ngo, Son Tung, Loquet, Antoine, Chiricotto, Mara, Ganguly, Pritam, McCarty, James, Li, Mai Suan, Hall, Carol, Wang, Yiming, Miller, Yifat, Melchionna, Simone, Habenstein, Birgit, Timr, Stepan, Chen, Jiaxing, Hnath, Brianna, Strodel, Birgit, Kayed, Rakez, Lesné, Sylvain, Wei, Guanghong, Sterpone, Fabio, Doig, Andrew J, Derreumaux, Philippe

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Does SARS-CoV‑2 Bind to Human ACE2 More Strongly Than Does SARS-CoV? von Nguyen, Hoang Linh, Lan, Pham Dang, Thai, Nguyen Quoc, Nissley, Daniel A, O’Brien, Edward P, Li, Mai Suan

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Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies von Nasica-Labouze, Jessica, Nguyen, Phuong H, Sterpone, Fabio, Berthoumieu, Olivia, Buchete, Nicolae-Viorel, Coté, Sébastien, De Simone, Alfonso, Doig, Andrew J, Faller, Peter, Garcia, Angel, Laio, Alessandro, Li, Mai Suan, Melchionna, Simone, Mousseau, Normand, Mu, Yuguang, Paravastu, Anant, Pasquali, Samuela, Rosenman, David J, Strodel, Birgit, Tarus, Bogdan, Viles, John H, Zhang, Tong, Wang, Chunyu, Derreumaux, Philippe

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How Good is Jarzynski’s Equality for Computer-Aided Drug Design? von Ho, Kiet, Truong, Duc Toan, Li, Mai Suan

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Refolding upon Force Quench and Pathways of Mechanical and Thermal Unfolding of Ubiquitin von Li, Mai Suan, Kouza, Maksim, Hu, Chin-Kun

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Probing the Binding Affinity by Jarzynski’s Nonequilibrium Binding Free Energy and Rupture Time von Truong, Duc Toan, Li, Mai Suan

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Amyloid-β Tetramers and Divalent Cations at the Membrane/Water Interface: Simple Models Support a Functional Role von Krupa, Pawel, La Penna, Giovanni, Li, Mai Suan

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Interaction of SARS-CoV-2 with host cells and antibodies: experiment and simulation von Nguyen, Hung, Nguyen, Hoang Linh, Lan, Pham Dang, Thai, Nguyen Quoc, Sikora, Mateusz, Li, Mai Suan

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Colored noise, folding rates and departure from Kramers' behavior von Chandra Bag, Bidhan, Hu, Chin-Kun, Suan Li, Mai

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Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study von Man, Viet Hoang, Li, Mai Suan, Derreumaux, Philippe, Nguyen, Phuong H.

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Computer Simulations of Aggregation of Proteins and Peptides von Li, Mai Suan, Kloczkowski, Andrzej, Cieplak, Marek, Kouza, Maksim

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