Multiscale Simulation of Protein Hydration Using the SWINGER Dynamical Clustering Algorithm-Reference-Cited by-同舟云学术

Multiscale Simulation of Protein Hydration Using the SWINGER Dynamical Clustering Algorithm

Published:2018-02-13 Issue:3 Volume:14 Page:1754-1761
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zavadlav Julija¹,Marrink Siewert J.²,Praprotnik Matej³⁴^ORCID

Affiliation:

1. Computational Science & Engineering Laboratory, ETH Zurich, Clausiusstrasse 33, CH-8092 Zurich, Switzerland

2. Groningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands

3. Laboratory for Molecular Modeling, National Institute of Chemistry, Hajdrihova 19, SI-1001 Ljubljana, Slovenia

4. Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana, Slovenia

Funder

Eidgenössische Technische Hochschule Zürich

Javna Agencija za Raziskovalno Dejavnost RS

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01129

Reference93 articles.

1. Multiscale modeling of biomolecular systems: in serial and in parallel

2. Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution

3. Molecular systems with open boundaries: Theory and simulation

4. PACE Force Field for Protein Simulations. 1. Full Parameterization of Version 1 and Verification

5. Further Optimization of a Hybrid United-Atom and Coarse-Grained Force Field for Folding Simulations: Improved Backbone Hydration and Interactions between Charged Side Chains

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