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Biochemical simulations

Visualization of Early Events in Acetic Acid Denaturation of HIV-1 Protease: A Molecular Dynamics Study

Aditi Narendra Borkar, Manoj Kumar Rout, Ramakrishna V. Hosur

Detailed Regulatory Mechanism of the Interaction between ZO-1 PDZ2 and Connexin43 Revealed by MD Simulations

Fei Xiao, Jingwei Weng, Kangnian Fan, Wenning Wang

Testing the Applicability of Nernst-Planck Theory in Ion Channels: Comparisons with Brownian Dynamics Simulations

Chen Song, Ben Corry

Recognition of 5-Hydroxymethylcytosine by the Uhrf1 SRA Domain

Carina Frauer, Thomas Hoffmann, [ ... ], Heinrich Leonhardt

Modeling Symmetric Macromolecular Structures in Rosetta3

Frank DiMaio, Andrew Leaver-Fay, [ ... ], Ingemar André

Interaction of β-Sheet Folds with a Gold Surface

Martin Hoefling, Susanna Monti, Stefano Corni, Kay Eberhard Gottschalk

Construction of Chimeric Dual-Chain Avidin by Tandem Fusion of the Related Avidins

Tiina A. Riihimäki, Sampo Kukkurainen, [ ... ], Vesa P. Hytönen

Characterization of Novel StAR (Steroidogenic Acute Regulatory Protein) Mutations Causing Non-Classic Lipoid Adrenal Hyperplasia

Christa E. Flück, Amit V. Pandey, [ ... ], Laura Audi

Multiple pH Regime Molecular Dynamics Simulation for pK Calculations

Lennart Nilsson, Andrey Karshikoff

Continuum Molecular Simulation of Large Conformational Changes during Ion–Channel Gating

Ali Nekouzadeh, Yoram Rudy

Anti-Influenza Activity of Marchantins, Macrocyclic Bisbibenzyls Contained in Liverworts

Yuma Iwai, Kouki Murakami, [ ... ], Takashi Kuzuhara

DNA Dynamics Is Likely to Be a Factor in the Genomic Nucleotide Repeats Expansions Related to Diseases

Boian S. Alexandrov, Vlad I. Valtchinov, [ ... ], Anny Usheva

Modeling a New Water Channel That Allows SET9 to Dimethylate p53

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

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