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Biochemical simulations

Two Arginine Residues Suppress the Flexibility of Nucleosomal DNA in the Canonical Nucleosome Core

Hidetoshi Kono, Kazuyoshi Shirayama, [ ... ], Hitoshi Kurumizaka

An Integrative Approach to the Study of Filamentous Oligomeric Assemblies, with Application to RecA

Benjamin Boyer, Johann Ezelin, [ ... ], Chantal Prévost

Molecular Dynamics Simulation and Experimental Verification of the Interaction between Cyclin T1 and HIV-1 Tat Proteins

Kaori Asamitsu, Takatsugu Hirokawa, Yurina Hibi, Takashi Okamoto

TatBC-Independent TatA/Tat Substrate Interactions Contribute to Transport Efficiency

Johannes Taubert, Bo Hou, [ ... ], Thomas Brüser

In Silico Screening, Genotyping, Molecular Dynamics Simulation and Activity Studies of SNPs in Pyruvate Kinase M2

Ponnusamy Kalaiarasan, Bhupender Kumar, [ ... ], Rameshwar N. K. Bamezai

Structure-Based Virtual Screening and Discovery of New PPARδ/γ Dual Agonist and PPARδ and γ Agonists

Vinicius G. Maltarollo, Marie Togashi, Alessandro S. Nascimento, Kathia M. Honorio

A Permutation Test for Oligoset DNA Pooling Studies

Hsiao-Yuan Huang, Jui-Hsiang Lin, Wen-Chung Lee

Conformational Changes in a Hyperthermostable Glycoside Hydrolase: Enzymatic Activity Is a Consequence of the Loop Dynamics and Protonation Balance

Leandro C. de Oliveira, Viviam M. da Silva, [ ... ], Wanius Garcia

The Interaction of RNA Helicase DDX3 with HIV-1 Rev-CRM1-RanGTP Complex during the HIV Replication Cycle

Seyed Hanif Mahboobi, Alex A. Javanpour, Mohammad R. K. Mofrad

Identification of Potential Small Molecule Allosteric Modulator Sites on IL-1R1 Ectodomain Using Accelerated Conformational Sampling Method

Chao-Yie Yang

Molecular Bases of Catalysis and ADP-Ribose Preference of Human Mn²⁺-Dependent ADP-Ribose/CDP-Alcohol Diphosphatase and Conversion by Mutagenesis to a Preferential Cyclic ADP-Ribose Phosphohydrolase

Alicia Cabezas, João Meireles Ribeiro, [ ... ], José Carlos Cameselle

Exploring the Interaction of SV2A with Racetams Using Homology Modelling, Molecular Dynamics and Site-Directed Mutagenesis

Joanna Lee, Veronique Daniels, [ ... ], Philip C. Biggin

Integrated Analysis of Residue Coevolution and Protein Structures Capture Key Protein Sectors in HIV-1 Proteins

Yuqi Zhao, Yanjie Wang, [ ... ], Jingfei Huang

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