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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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coarse grained

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5 results in Keywords: coarse grained

Theoretical and Computational Chemistry

Understanding and Fine Tuning the Propensity of ATP-Driven Liquid-Liquid Phase Separation with Oligolysine

Qiang Zhu, Yongxian Wu, Ray Luo

Version 2 posted 30 January 2024

316

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Theoretical and Computational Chemistry

Simulation of Defects, Flexibility and Rupture in Biopolymer Networks

Matthew H. J. Bailey, Mark Wilson

Version 1 posted 29 September 2021

209

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Theoretical and Computational Chemistry

CGCompiler: Automated coarse-grained molecule parameterization via noise-resistant mixed-variable optimization

Kai S. Stroh, Paulo C. T. Souza, Luca Monticelli, H. Jelger Risselada

Version 1 posted 13 June 2023

414

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1

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Biological and Medicinal Chemistry

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Hima Bindu Kolli, Antonio de Nicola, Sigbjørn Løland Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhong-Yuan Lu, You-Liang Zhu, Giuseppe Milano, Michele Cascella

Version 1 posted 14 May 2018

607

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1

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Theoretical and Computational Chemistry

Recent advances in modeling membrane beta-barrel proteins using molecular dynamics simulations: from their lipid environments to their assemblies

Anna Duncan, Ya Gao, Evert Haanappel, Wonpil Im, Matthieu Chavent

Version 1 posted 03 November 2023

385

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