Repozitorij Univerze v Novi Gorici

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Naslov:Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies
Avtorji:Soler, Miguel (Avtor)
de Marco, Ario (Avtor)
Fortuna, Sara (Avtor)
Datoteke:.pdf Soler_et_al-2016-Scientific_Reports.pdf (1,95 MB)
 
Jezik:Angleški jezik
Vrsta gradiva:Delo ni kategorizirano (r6)
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:UNG - Univerza v Novi Gorici
Opis:Nanobodies (VHHs) have proved to be valuable substitutes of conventional antibodies for molecular recognition. Their small size represents a precious advantage for rational mutagenesis based on modelling. Here we address the problem of predicting how Camelidae nanobody sequences can tolerate mutations by developing a simulation protocol based on all-atom molecular dynamics and wholemolecule docking. The method was tested on two sets of nanobodies characterized experimentally for their biophysical features. One set contained point mutations introduced to humanize a wild type sequence, in the second the CDRs were swapped between single-domain frameworks with Camelidae and human hallmarks. The method resulted in accurate scoring approaches to predict experimental yields and enabled to identify the structural modifications induced by mutations. This work is a promising tool for the in silico development of single-domain antibodies and opens the opportunity to customize single functional domains of larger macromolecules
Ključne besede:nanobodies, molecular dynamics, modeling, antibody solubility
Leto izida:2016
Št. strani:11
Številčenje:6:34869 |
COBISS_ID:4531707 Povezava se odpre v novem oknu
URN:URN:SI:UNG:REP:LFCPDQKV
DOI:10.1038/srep34869 Povezava se odpre v novem oknu
Licenca:CC BY 4.0
To delo je dosegljivo pod licenco Creative Commons Priznanje avtorstva 4.0 Mednarodna
Število ogledov:1454
Število prenosov:135
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Področja:Gradivo ni uvrščeno v področja.
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Skupna ocena:(0 glasov)
Vaša ocena:Ocenjevanje je dovoljeno samo prijavljenim uporabnikom.

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Gradivo je del revije

Naslov:Scientific Reports
Založnik:Springer Nature Publishing
Leto izida:2016

Gradivo je financirano iz projekta

Financer:ARRS - Agencija za raziskovalno dejavnost Republike Slovenije (ARRS)
Program financ.:Sofinanciranje znanstvenoraziskovalnega sodelovanja med RS in Belgijo
Številka projekta:N4-0046
Naslov:
Akronim:
ID projekta:info:eu-repo/grantAgreement/ARRS/Sofinanciranje%20znanstvenoraziskovalnega%20sodelovanja%20med%20RS%20in%20Belgijo/N4-0046

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