Literature DB >> 10097616

Ab initio characterization of building units in peptides and proteins.

A G Császár1, A Perczel.   

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Year:  1999        PMID: 10097616     DOI: 10.1016/s0079-6107(98)00031-5

Source DB:  PubMed          Journal:  Prog Biophys Mol Biol        ISSN: 0079-6107            Impact factor:   3.667


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  8 in total

1.  Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures.

Authors:  Wenbo Yu; Zhiqing Wu; Huibin Chen; Xu Liu; Alexander D MacKerell; Zijing Lin
Journal:  J Phys Chem B       Date:  2012-02-10       Impact factor: 2.991

2.  Effect of piratoxin II and acutohaemolysin phospholipase (PLA2) proteins on myristic fatty acid--an ONIOM and DFT study.

Authors:  Angamuthu Abiram; Ponmalai Kolandaivel
Journal:  J Mol Model       Date:  2010-03-12       Impact factor: 1.810

3.  Better force fields start with better data: A data set of cation dipeptide interactions.

Authors:  Xiaojuan Hu; Maja-Olivia Lenz-Himmer; Carsten Baldauf
Journal:  Sci Data       Date:  2022-06-17       Impact factor: 8.501

4.  Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory.

Authors:  Ren-Jie Lin; Chen-Chang Wu; Soonmin Jang; Feng-Yin Li
Journal:  J Mol Model       Date:  2009-06-21       Impact factor: 1.810

5.  Conformational properties of 1,4- and 1,5-substituted 1,2,3-triazole amino acids – building units for peptidic foldamers.

Authors:  Nina Kann; Johan R Johansson; Tamás Beke-Somfai
Journal:  Org Biomol Chem       Date:  2015-03-07       Impact factor: 3.876

6.  Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine.

Authors:  Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Cristina Puzzarini
Journal:  Phys Chem Chem Phys       Date:  2013-04-19       Impact factor: 3.676

7.  First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.

Authors:  Matti Ropo; Markus Schneider; Carsten Baldauf; Volker Blum
Journal:  Sci Data       Date:  2016-02-16       Impact factor: 6.444

8.  Computational study on single molecular spectroscopy of tyrosin-glycine, tryptophane-glycine and glycine-tryptophane.

Authors:  Bing Yang; Shixue Liu; Zijing Lin
Journal:  Sci Rep       Date:  2017-11-20       Impact factor: 4.379

  8 in total

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