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3 articles related to "Force Field Ff"

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Articles

Original Research

Published on 13 Aug 2019

Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins

in Biological Modeling and Simulation

Omar Demerdash
Utsab R. Shrestha
Loukas Petridis
Jeremy C. Smith
Julie C. Mitchell
Arvind Ramanathan

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2019.00064

7,407 views
30 citations

Original Research

Published on 26 Oct 2022

Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments

in Biological Modeling and Simulation

Mona Koder Hamid
Linda K. Månsson
Viktoriia Meklesh
Per Persson
Marie Skepö

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.958175

6,096 views
24 citations

Original Research

Published on 02 Sep 2022

Computational study on the binding of Mango-II RNA aptamer and fluorogen using the polarizable force field AMOEBA

in Molecular Recognition

Xudong Yang
Chengwen Liu
Yu-An Kuo
Hsin-Chih Yeh
Pengyu Ren

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.946708

4,275 views
3 citations