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Biochemical simulations

Insight into Buffalo (Bubalus bubalis) RIG1 and MDA5 Receptors: A Comparative Study on dsRNA Recognition and In-Vitro Antiviral Response

Manvender Singh, Biswajit Brahma, [ ... ], Sachinandan De

Computational Study on the Inhibitor Binding Mode and Allosteric Regulation Mechanism in Hepatitis C Virus NS3/4A Protein

Weiwei Xue, Ying Yang, [ ... ], Xiaojun Yao

Two Polymorphisms Facilitate Differences in Plasticity between Two Chicken Major Histocompatibility Complex Class I Proteins

Alistair Bailey, Andy van Hateren, Tim Elliott, Jörn M. Werner

Structural Diversity and Initial Oligomerization of PrP106–126 Studied by Replica-Exchange and Conventional Molecular Dynamics Simulations

Lulu Ning, Jingjing Guo, [ ... ], Xiaojun Yao

Molecular Dynamics Simulations of the Cardiac Troponin Complex Performed with FRET Distances as Restraints

Jayant James Jayasundar, Jun Xing, [ ... ], Wen-Ji Dong

Role of Sequence and Structural Polymorphism on the Mechanical Properties of Amyloid Fibrils

Gwonchan Yoon, Myeongsang Lee, [ ... ], Kilho Eom

Conformational Changes in Acetylcholine Binding Protein Investigated by Temperature Accelerated Molecular Dynamics

Zeynab Mohammad Hosseini Naveh, Therese E. Malliavin, [ ... ], Giovanni Ciccotti

Constructing the Energy Landscape for Genetic Switching System Driven by Intrinsic Noise

Cheng Lv, Xiaoguang Li, Fangting Li, Tiejun Li

Modeling Damage Complexity-Dependent Non-Homologous End-Joining Repair Pathway

Yongfeng Li, Pamela Reynolds, Peter O'Neill, Francis A. Cucinotta

Role of Tryptophan Side Chain Dynamics on the Trp-Cage Mini-Protein Folding Studied by Molecular Dynamics Simulations

Srinivasaraghavan Kannan, Martin Zacharias

The Arrival of the Frequent: How Bias in Genotype-Phenotype Maps Can Steer Populations to Local Optima

Steffen Schaper, Ard A. Louis

Synthetic Multivalent Antifungal Peptides Effective against Fungi

Rajamani Lakshminarayanan, Shouping Liu, [ ... ], Roger W. Beuerman

Key Molecular Requirements for Raft Formation in Lipid/Cholesterol Membranes

Davit Hakobyan, Andreas Heuer

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