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Biochemical simulations

Modeling a New Water Channel That Allows SET9 to Dimethylate p53

Qifeng Bai, Yulin Shen, [ ... ], Jinbo Yang

Histidine-Mediated pH-Sensitive Regulation of M-Ficolin:GlcNAc Binding Activity in Innate Immunity Examined by Molecular Dynamics Simulations

Lifeng Yang, Jing Zhang, Bow Ho, Jeak Ling Ding

Snake Cytotoxins Bind to Membranes via Interactions with Phosphatidylserine Head Groups of Lipids

Anastasia G. Konshina, Ivan A. Boldyrev, [ ... ], Roman G. Efremov

Eugene – A Domain Specific Language for Specifying and Constraining Synthetic Biological Parts, Devices, and Systems

Lesia Bilitchenko, Adam Liu, [ ... ], Douglas Densmore

An Allosteric Mechanism Inferred from Molecular Dynamics Simulations on Phospholamban Pentamer in Lipid Membranes

Peng Lian, Dong-Qing Wei, Jing-Fang Wang, Kuo-Chen Chou

Characterization of Structural Features Controlling the Receptiveness of Empty Class II MHC Molecules

Bernd Rupp, Sebastian Günther, [ ... ], Ronald Kühne

Optimizing the Design of Oligonucleotides for Homology Directed Gene Targeting

Judith Miné-Hattab, Geneviève Fleury, [ ... ], Jean-Louis Viovy

The Regulatory Subunit of PKA-I Remains Partially Structured and Undergoes β-Aggregation upon Thermal Denaturation

Khanh K. Dao, Angel L. Pey, [ ... ], Aurora Martinez

The Dynamics of Ca²⁺ Ions within the Solvation Shell of Calbindin D9k

Elad Project, Esther Nachliel, Menachem Gutman

Role of Cell-to-Cell Variability in Activating a Positive Feedback Antiviral Response in Human Dendritic Cells

Jianzhong Hu, German Nudelman, [ ... ], Stuart C. Sealfon

Discovering Conformational Sub-States Relevant to Protein Function

Arvind Ramanathan, Andrej J. Savol, [ ... ], Chakra S. Chennubhotla

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

Jufang Shan, Jonathan A. Javitch, Lei Shi, Harel Weinstein

Optimal Homogenization of Perfusion Flows in Microfluidic Bio-Reactors: A Numerical Study

Fridolin Okkels, Martin Dufva, Henrik Bruus

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