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Molecular dynamics

Molecular Dynamics of Channelrhodopsin at the Early Stages of Channel Opening

Mizuki Takemoto, Hideaki E. Kato, [ ... ], Osamu Nureki

Mapping the Structural and Dynamical Features of Multiple p53 DNA Binding Domains: Insights into Loop 1 Intrinsic Dynamics

Suryani Lukman, David P. Lane, Chandra S. Verma

Experimental, molecular docking and molecular dynamic studies of natural products targeting overexpressed receptors in breast cancer

Mohammad Sadegh Taghizadeh, Ali Niazi, Ali Moghadam, Alireza Afsharifar

Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding

Fernanda A. H. Batista, Daniela B. B. Trivella, [ ... ], Igor Polikarpov

Human Sirt-1: Molecular Modeling and Structure-Function Relationships of an Unordered Protein

Ida Autiero, Susan Costantini, Giovanni Colonna

Similarity Measures for Protein Ensembles

Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg

Lestaurtinib Inhibits Histone Phosphorylation and Androgen-Dependent Gene Expression in Prostate Cancer Cells

Jens Köhler, German Erlenkamp, [ ... ], Manfred Jung

The Impact of Small Molecule Binding on the Energy Landscape of the Intrinsically Disordered Protein C-Myc

Julien Michel, Rémi Cuchillo

Functional Motions of Candida antarctica Lipase B: A Survey through Open-Close Conformations

Mohamad Reza Ganjalikhany, Bijan Ranjbar, Amir Hossein Taghavi, Tahereh Tohidi Moghadam

Automatic Identification of Mobile and Rigid Substructures in Molecular Dynamics Simulations and Fractional Structural Fluctuation Analysis

Leandro Martínez

Modulation of Alpha-Synuclein Aggregation by Dopamine Analogs

Diane Latawiec, Fernando Herrera, [ ... ], Giuseppe Legname

EDTA aggregates induce SYPRO orange-based fluorescence in thermal shift assay

Tobias Kroeger, Benedikt Frieg, [ ... ], Holger Gohlke

Comparing Molecular Dynamics Force Fields in the Essential Subspace

Fernando Martín-García, Elena Papaleo, [ ... ], Kresten Lindorff-Larsen

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