Conformational flexibility in designing peptides for immunology: the molecular dynamics approach
A Stavrakoudis - Current Computer-Aided Drug Design, 2010 - ingentaconnect.com
Computational modeling techniques and computer simulations have become a routine in
biological sciences and have gained great attention from researchers. Molecular dynamics …
biological sciences and have gained great attention from researchers. Molecular dynamics …
Eucb: A C++ program for molecular dynamics trajectory analysis
IG Tsoulos, A Stavrakoudis - Computer Physics Communications, 2011 - Elsevier
Eucb is a standalone program for geometrical analysis of molecular dynamics trajectories of
protein systems. The program is written in GNU C++ and it can be installed in any operating …
protein systems. The program is written in GNU C++ and it can be installed in any operating …
Computational modelling and molecular dynamics simulations of a cyclic peptide mimotope of the CD52 antigen complexed with CAMPATH-1H antibody
A Stavrakoudis - Molecular Simulation, 2010 - Taylor & Francis
A peptide mimotope of the CD52 antigen with the sequence T1SSPSAD7 has been co-
crystallised with the CAMPATH-1H antibody. Molecular dynamics (MD) simulations in …
crystallised with the CAMPATH-1H antibody. Molecular dynamics (MD) simulations in …
Insights into the structure of the LC13 TCR/HLA-B8-EBV peptide complex with molecular dynamics simulations
A Stavrakoudis - Cell biochemistry and biophysics, 2011 - Springer
One key step in the immune response against infected or tumor cells is the recognition of the
T-cell receptor (TCR) by class I major histocompatibility complexes. The complex between …
T-cell receptor (TCR) by class I major histocompatibility complexes. The complex between …
Conformational dynamics of a short antigenic peptide in its free and antibody bound forms gives insight into the role of β‐turns in peptide immunogenicity
RT Shukla, YU Sasidhar - Proteins: Structure, Function, and …, 2015 - Wiley Online Library
Earlier immunological experiments with a synthetic 36‐residue peptide (75‐110) from
Influenza hemagglutinin have been shown to elicit anti‐peptide antibodies (Ab) which could …
Influenza hemagglutinin have been shown to elicit anti‐peptide antibodies (Ab) which could …
[HTML][HTML] Cis–trans isomerization of the Epstein–Barr virus determinant peptide EENLLDFVRF after the DM1 TCR recognition of the HLA-B* 4405/peptide complex
A Stavrakoudis - FEBS letters, 2011 - Elsevier
The Epstein–Barr virus determinant peptide EENLLDFVRF shows high immunogenicity
when presented by HLA-B* 4405 allotype. This fact is accompanied by a cis–trans …
when presented by HLA-B* 4405 allotype. This fact is accompanied by a cis–trans …
Homology modeling and molecular dynamics simulations of MUC1-9/H-2Kb complex suggest novel binding interactions
Human MUC1 is over-expressed in human adenocarcinomas and has been used as a
target for immunotherapy studies. The 9-mer MUC1-9 peptide has been identified as one of …
target for immunotherapy studies. The 9-mer MUC1-9 peptide has been identified as one of …
Research on F-OFDM subband filter algorithm for three major 5G application scenarios
Y Chen, Y Wang, H Wu - Proceedings of the 2020 4th International …, 2020 - dl.acm.org
With the proposal of three major 5G (5th generation wireless systems) application scenarios,
the first NR (New Radio) specification version of 3GPP (3rd Generation Partnership Project) …
the first NR (New Radio) specification version of 3GPP (3rd Generation Partnership Project) …
In silico drug discovery targeting Chikungunya virus
PTV Nguyen - 2015 - ro.uow.edu.au
In recent years, there has been an emergence or re-emergence of Chikungunya virus
(CHIKV), a member of the alphavirus. The virus is one of the arboviruses, and it is classified …
(CHIKV), a member of the alphavirus. The virus is one of the arboviruses, and it is classified …
Application of simulation methods for the identification of allosteric binding site in human glucokinase
N Vahdati - 2010 - eprints.soton.ac.uk
Allosteric binding site, in generic terms, refers to a binding site distinct from the active site,
where binding of an effector can enhance or decrease enzyme's activity. From a drug design …
where binding of an effector can enhance or decrease enzyme's activity. From a drug design …