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4 articles related to "Coarse Grained Cg Methods"

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Articles

Editorial

Published on 06 Oct 2022

Editorial: Combined artificial intelligence and molecular dynamics (AI-MD) methods

in Biological Modeling and Simulation

Leili Zhang
Kai Huang
Yi Isaac Yang
Liang Shi

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.1012785

5,315 views
5 citations

Review

Published on 05 Nov 2019

Large-Scale Conformational Changes and Protein Function: Breaking the in silico Barrier

in Biological Modeling and Simulation

Laura Orellana

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2019.00117

29,835 views
115 citations

Original Research

Published on 28 Jun 2022

Exploring the Conformational Impact of Glycine Receptor TM1-2 Mutations Through Coarse-Grained Analysis and Atomistic Simulations

in Biological Modeling and Simulation

Anil Ranu Mhashal
Ozge Yoluk
Laura Orellana

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.890851

4,944 views
4 citations

Original Research

Published on 29 Apr 2021

A Deep Graph Network–Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins

in Biological Modeling and Simulation

Federico Errica
Marco Giulini
Davide Bacciu
Roberto Menichetti
Alessio Micheli
Raffaello Potestio

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.637396

5,542 views
17 citations