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Biochemical simulations

Slow Protein Fluctuations Explain the Emergence of Growth Phenotypes and Persistence in Clonal Bacterial Populations

Andrea Rocco, Andrzej M. Kierzek, Johnjoe McFadden

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, [ ... ], Keun Woo Lee

Wrapping Effects within a Proposed Function-Rescue Strategy for the Y220C Oncogenic Mutation of Protein p53

Sebastián R. Accordino, J. Ariel Rodríguez Fris, Gustavo A. Appignanesi

Polymer Uncrossing and Knotting in Protein Folding, and Their Role in Minimal Folding Pathways

Ali R. Mohazab, Steven S. Plotkin

Chemical Memory Reactions Induced Bursting Dynamics in Gene Expression

Tianhai Tian

The Effect of a G:T Mispair on the Dynamics of DNA

Petra Imhof, Mai Zahran

Cooperative Assembly of Co-Smad4 MH1 with R-Smad1/3 MH1 on DNA: A Molecular Dynamics Simulation Study

Guihong Wang, Chaoqun Li, Yan Wang, Guangju Chen

Effect of Temperature and Capsid Tail on the Packing and Ejection of Viral DNA

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

On the Molecular Basis of D-Bifunctional Protein Deficiency Type III

Maija L. Mehtälä, Marc F. Lensink, [ ... ], Tuomo Glumoff

CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin

Matteo Gabba, Stefania Abbruzzetti, [ ... ], Sylvia Dewilde

Atomistic Study of Lipid Membranes Containing Chloroform: Looking for a Lipid-Mediated Mechanism of Anesthesia

Ramon Reigada

Dynamic Regulation of Phenylalanine Hydroxylase by Simulated Redox Manipulation

Julian E. Fuchs, Roland G. Huber, [ ... ], Klaus R. Liedl

Specificity and Versatility of Substrate Binding Sites in Four Catalytic Domains of Human N-Terminal Acetyltransferases

Cédric Grauffel, Angèle Abboud, [ ... ], Nathalie Reuter

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