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Salt bridges

Determining the role of missense mutations in the POU domain of HNF1A that reduce the DNA-binding affinity: A computational approach

Sneha P., Thirumal Kumar D., [ ... ], Hatem Zayed

Establishing knowledge on the sequence arrangement pattern of nucleated protein folding

Fei Leng, Chao Xu, Xia-Yu Xia, Xian-Ming Pan

A comparative study of cold- and warm-adapted Endonucleases A using sequence analyses and molecular dynamics simulations

Davide Michetti, Bjørn Olav Brandsdal, [ ... ], Elena Papaleo

Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptorγ

Yassmine Chebaro, Serena Sirigu, [ ... ], Annick Dejaegere

Structure-Based Understanding of Binding Affinity and Mode of Estrogen Receptor α Agonists and Antagonists

Sehan Lee, Mace G. Barron

Effect of Glu12-His89 Interaction on Dynamic Structures in HIV-1 p17 Matrix Protein Elucidated by NMR

Yuta Konagaya, Rina Miyakawa, [ ... ], Chiaki Nishimura

Structural and Functional Effect of an Oscillating Electric Field on the Dopamine-D3 Receptor: A Molecular Dynamics Simulation Study

Zohreh Fallah, Yousef Jamali, Hashem Rafii-Tabar

Insight on Mutation-Induced Resistance from Molecular Dynamics Simulations of the Native and Mutated CSF-1R and KIT

Priscila Da Silva Figueiredo Celestino Gomes, Isaure Chauvot De Beauchêne, [ ... ], Luba Tchertanov

Bending-Twisting Motions and Main Interactions in Nucleoplasmin Nuclear Import

Marcos Tadeu Geraldo, Agnes Alessandra Sekijima Takeda, Antônio Sérgio Kimus Braz, Ney Lemke

Crystal Structure of the FERM-SH2 Module of Human Jak2

Randall McNally, Angela V. Toms, Michael J. Eck

The Dynamics of the Human Leukocyte Antigen Head Domain Modulates Its Recognition by the T-Cell Receptor

Estefanía García-Guerrero, José Antonio Pérez-Simón, [ ... ], Antonio Díaz-Quintana

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2

Pasquale Pisani, Fabiana Caporuscio, Luca Carlino, Giulio Rastelli

Viral Evolved Inhibition Mechanism of the RNA Dependent Protein Kinase PKR's Kinase Domain, a Structural Perspective

K. Hari Krishna, Yallamandayya Vadlamudi, Muthuvel Suresh Kumar

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