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Hydrogen bonding

The ELBA Force Field for Coarse-Grain Modeling of Lipid Membranes

Mario Orsi, Jonathan W. Essex

In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel

Kirsten Knape, Tobias Linder, [ ... ], Anna Stary-Weinzinger

Structural Studies of β-Carbonic Anhydrase from the Green Alga Coccomyxa: Inhibitor Complexes with Anions and Acetazolamide

Shenghua Huang, Tobias Hainzl, [ ... ], A. Elisabeth Sauer-Eriksson

Accessible Surfaces of Beta Proteins Increase with Increasing Protein Molecular Mass More Rapidly than Those of Other Proteins

Anna V. Glyakina, Natalya S. Bogatyreva, Oxana V. Galzitskaya

Molecular Determinants of Magnolol Targeting Both RXRα and PPARγ

Haitao Zhang, Xing Xu, [ ... ], Xu Shen

Structure Analysis of a New Psychrophilic Marine Protease

Si-Cai Zhang, Mi Sun, [ ... ], Sheng-Xiang Lin

Structural Analysis of Prolyl Oligopeptidases Using Molecular Docking and Dynamics: Insights into Conformational Changes and Ligand Binding

Swati Kaushik, Ramanathan Sowdhamini

Modeling of Human Prokineticin Receptors: Interactions with Novel Small-Molecule Binders and Potential Off-Target Drugs

Anat Levit, Talia Yarnitzky, [ ... ], Masha Y. Niv

Effects of Solute-Solute Interactions on Protein Stability Studied Using Various Counterions and Dendrimers

Curtiss P. Schneider, Diwakar Shukla, Bernhardt L. Trout

Microsecond Molecular Dynamics Simulations of Intrinsically Disordered Proteins Involved in the Oxidative Stress Response

Elio A. Cino, Jirasak Wong-ekkabut, Mikko Karttunen, Wing-Yiu Choy

Effects of Temperature on the p53-DNA Binding Interactions and Their Dynamical Behavior: Comparing the Wild Type to the R248Q Mutant

Khaled Barakat, Bilkiss B. Issack, Maria Stepanova, Jack Tuszynski

The PHD Finger of Human UHRF1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers

Nada Lallous, Pierre Legrand, [ ... ], Catherine Birck

Characterization of the Estradiol-Binding Site Structure of Human Protein Disulfide Isomerase (PDI)

Xin-Miao Fu, Pan Wang, Bao Ting Zhu

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