Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics-Reference-Cited by-同舟云学术

Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics

Published:2018-11-08 Issue:12 Volume:14 Page:6690-6700
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jamali Seyed Hossein¹^ORCID,Westen Thijs van²³,Moultos Othonas A.¹^ORCID,Vlugt Thijs J. H.¹^ORCID

Affiliation:

1. Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Leeghwaterstraat 39, 2628CB Delft, The Netherlands

2. Institute AMOLF, Science Park 104,1098XG, Amsterdam, The Netherlands

3. Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, D-70569 Stuttgart, Germany

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00909

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3. The stabilization of proteins by sucrose.

4. Long-term storage of tissues by cryopreservation: critical issues

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