Sökning: L773:0003 9861 OR L773:1096 0384 > Molecular simulatio...
Fältnamn | Indikatorer | Metadata |
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000 | 02809naa a2200397 4500 | |
001 | oai:DiVA.org:lnu-81246 | |
003 | SwePub | |
008 | 190321s2019 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:lnu:diva-812462 URI |
024 | 7 | a https://doi.org/10.1016/j.abb.2019.01.0332 DOI |
040 | a (SwePub)lnu | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Georgoulia, Panagiota S.u Linnéuniversitetet,Institutionen för kemi och biomedicin (KOB),Linnaeus Ctr Biomat Chem, BMC;CCBG4 aut0 (Swepub:lnu)pageaa |
245 | 1 0 | a Molecular simulation of peptides coming of age :b accurate prediction of folding, dynamics and structures |
264 | 1 | b Elsevier,c 2019 |
338 | a print2 rdacarrier | |
520 | a The application of molecular dynamics simulations to study the folding and dynamics of peptides has attracted a lot of interest in the last couple of decades. Following the successful prediction of the folding of several proteins using molecular simulation, foldable peptides emerged as a favourable system mainly due to their application in improving protein structure prediction methods and in drug design studies. However, their performance is inherently linked to the accuracy of the empirical force fields used in the simulations, whose optimisation and validation is of paramount importance. Here we review the most important findings in the field of molecular peptide simulations and highlight the significant advancements made over the last twenty years. Special reference is made on the simulation of disordered peptides and the remaining challenge to find a force field able to describe accurately their conformational landscape. | |
650 | 7 | a NATURVETENSKAPx Data- och informationsvetenskapx Bioinformatik0 (SwePub)102032 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Computer and Information Sciencesx Bioinformatics0 (SwePub)102032 hsv//eng |
650 | 7 | a NATURVETENSKAPx Biologix Biokemi och molekylärbiologi0 (SwePub)106022 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Biological Sciencesx Biochemistry and Molecular Biology0 (SwePub)106022 hsv//eng |
653 | a Peptide simulations | |
653 | a Peptide folding | |
653 | a Peptide dynamics | |
653 | a Empirical force fields | |
653 | a Validation | |
653 | a Biokemi | |
653 | a Biochemistry | |
700 | 1 | a Glykos, Nicholas M.u University of Thrace, Greece4 aut |
710 | 2 | a Linnéuniversitetetb Institutionen för kemi och biomedicin (KOB)4 org |
773 | 0 | t Archives of Biochemistry and Biophysicsd : Elsevierg 664:March, s. 76-88q 664:March<76-88x 0003-9861x 1096-0384 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:lnu:diva-81246 |
856 | 4 8 | u https://doi.org/10.1016/j.abb.2019.01.033 |
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