Literature DB >> 27529356

Predicting the Chemical Potential and Osmotic Pressure of Polysaccharide Solutions by Molecular Simulations.

Jörg Sauter1, Andrea Grafmüller1.   

Abstract

Entities:  

Year:  2016        PMID： 27529356     DOI： 10.1021/acs.jctc.6b00295

Source DB:  PubMed          Journal:  J Chem Theory Comput        ISSN： 1549-9618            Impact factor:   6.006


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  8 in total

Review 1.  Predicting the Structures of Glycans, Glycoproteins, and Their Complexes.

Authors:  Robert J Woods
Journal:  Chem Rev       Date:  2018-08-09       Impact factor: 60.622

2.  Reparametrization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations.

Authors:  Mark S Miller; Wesley K Lay; Shuxiang Li; William C Hacker; Jiadi An; Jianlan Ren; Adrian H Elcock
Journal:  J Chem Theory Comput       Date:  2017-03-27       Impact factor: 6.006

3.  Reparameterization of Solute-Solute Interactions for Amino Acid-Sugar Systems Using Isopiestic Osmotic Pressure Molecular Dynamics Simulations.

Authors:  Wesley K Lay; Mark S Miller; Adrian H Elcock
Journal:  J Chem Theory Comput       Date:  2017-04-28       Impact factor: 6.006

4.  An accurate coarse-grained model for chitosan polysaccharides in aqueous solution.

Authors:  Levan Tsereteli; Andrea Grafmüller
Journal:  PLoS One       Date:  2017-07-21       Impact factor: 3.240

5.  Predicting the Kinetics of Ice Recrystallization in Aqueous Sugar Solutions.

Authors:  Thijs van Westen; Robert D Groot
Journal:  Cryst Growth Des       Date:  2018-02-20       Impact factor: 4.076

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

Authors:  Seyed Hossein Jamali; Thijs van Westen; Othonas A Moultos; Thijs J H Vlugt
Journal:  J Chem Theory Comput       Date:  2018-11-20       Impact factor: 6.006

Review 7.  Systematic Hydrogen-Bond Manipulations To Establish Polysaccharide Structure-Property Correlations.

Authors:  Yang Yu; Theodore Tyrikos-Ergas; Yuntao Zhu; Giulio Fittolani; Vittorio Bordoni; Ankush Singhal; Richard J Fair; Andrea Grafmüller; Peter H Seeberger; Martina Delbianco
Journal:  Angew Chem Int Ed Engl       Date:  2019-08-19       Impact factor: 15.336

8.  Sequential Linkage of Carbohydrate Antigens to Mimic Capsular Polysaccharides: Toward Semisynthetic Glycoconjugate Vaccine Candidates against Streptococcus pneumoniae Serotype 14.

Authors:  Bruna M S Seco; Fei-Fei Xu; Andrea Grafmüller; Naresh Kottari; Claney L Pereira; Peter H Seeberger
Journal:  ACS Chem Biol       Date:  2020-09-08       Impact factor: 5.100
  8 in total

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