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Molecular dynamics

8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme

Joanna J. Hoppins, David R. Gruber, [ ... ], Serge L. Smirnov

Jump into a New Fold—A Homology Based Model for the ABCG2/BCRP Multidrug Transporter

Laura László, Balázs Sarkadi, Tamás Hegedűs

The Effect of Tethers on Artificial Cell Membranes: A Coarse-Grained Molecular Dynamics Study

William Hoiles, Rini Gupta, [ ... ], Vikram Krishnamurthy

Identification of Specific Effect of Chloride on the Spectral Properties and Structural Stability of Multiple Extracellular Glutamic Acid Mutants of Bacteriorhodopsin

Tzvetana Lazarova, Krzysztof Mlynarczyk, [ ... ], Esteve Padrós

Acteoside Binds to Caspase-3 and Exerts Neuroprotection in the Rotenone Rat Model of Parkinson's Disease

Jiawen Yuan, Jinpeng Ren, [ ... ], Yuwu Zhao

Direct and Auger Electron-Induced, Single- and Double-Strand Breaks on Plasmid DNA Caused by ^99mTc-Labeled Pyrene Derivatives and the Effect of Bonding Distance

Falco Reissig, Constantin Mamat, [ ... ], Gerd Wunderlich

Computational Analysis of the Ligand Binding Site of the Extracellular ATP Receptor, DORN1

Cuong The Nguyen, Kiwamu Tanaka, [ ... ], Gary Stacey

Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants

Artur Gieldon, Dorota Zurawa-Janicka, [ ... ], Jerzy Ciarkowski

Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase

Niladri Patra, Efthymios I. Ioannidis, Heather J. Kulik

Elucidating the Activation Mechanism of the Insulin-Family Proteins with Molecular Dynamics Simulations

Anastasios Papaioannou, Serdar Kuyucak, Zdenka Kuncic

SIRT6 Is a Positive Regulator of Aldose Reductase Expression in U937 and HeLa cells under Osmotic Stress: In Vitro and In Silico Insights

Ahmet Can Timucin, Huveyda Basaga

The Ramachandran Number: An Order Parameter for Protein Geometry

Ranjan V. Mannige, Joyjit Kundu, Stephen Whitelam

Immunologic Function and Molecular Insight of Recombinant Interleukin-18

Jirakrit Saetang, Aekkachai Puseenam, [ ... ], Varomyalin Tipmanee

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