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Molecular dynamics

Dynamics and asymmetry in the dimer of the norovirus major capsid protein

Thibault Tubiana, Yves Boulard, Stéphane Bressanelli

Understanding Russell’s viper venom factor V activator’s substrate specificity by surface plasmon resonance and in-silico studies

Pradeep K. Yadav, Christian B. Antonyraj, Syed Ibrahim Basheer Ahamed, Sistla Srinivas

Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance restraints

Gabor Nagy, Chris Oostenbrink, Jozef Hritz

Structural and dynamical insight into thermally induced functional inactivation of firefly luciferase

Fatemeh S. Jazayeri, Mehriar Amininasab, Saman Hosseinkhani

Molecular mechanics of Staphylococcus aureus adhesin, CNA, and the inhibition of bacterial adhesion by stretching collagen

Ali Madani, Kiavash Garakani, Mohammad R. K. Mofrad

Structure, dynamics and kinetics of two-component Lantibiotic Lichenicidin

Alejandra de Miguel, Rafael Tapia-Rojo, Tillmann Utesch, Maria Andrea Mroginski

Differential roles of 3-Hydroxyflavone and 7-Hydroxyflavone against nicotine-induced oxidative stress in rat renal proximal tubule cells

Bidisha Sengupta, Mehdi Sahihi, [ ... ], Istvan Arany

Ligand-mediated and tertiary interactions cooperatively stabilize the P1 region in the guanine-sensing riboswitch

Christian A. Hanke, Holger Gohlke

Study of structural stability and damaging effect on membrane for four Aβ42 dimers

Wei Feng, Huimin Lei, Jiarui Si, Tao Zhang

Genetic variants in ALDH1B1 and alcohol dependence risk in a British and Irish population: A bioinformatic and genetic study

Michael J. Way, M. Adam Ali, Andrew McQuillin, Marsha Y. Morgan

All atom NMDA receptor transmembrane domain model development and simulations in lipid bilayers and water

Samaneh Mesbahi-Vasey, Lea Veras, [ ... ], Maria G. Kurnikova

Molecular dynamics analysis of the aggregation propensity of polyglutamine segments

Jingran Wen, Daniel R. Scoles, Julio C. Facelli

Covalent dye attachment influences the dynamics and conformational properties of flexible peptides

Manuel P. Luitz, Anders Barth, [ ... ], Martin Zacharias

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