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 …
Alemtuzumab scFv fragments and CD52 interaction study through molecular dynamics simulation and binding free energy
NF Frota, A de Sousa Rebouças, CA Fuzo… - Journal of Molecular …, 2021 - Elsevier
Specific antibody-antigen recognition is crucial for the immune response. Knowledge of
molecular interaction details in the recognition process is fundamental for the rational design …
molecular interaction details in the recognition process is fundamental for the rational design …
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 …
Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates
M Khorvash, N Blinov, C Ladner-Keay, J Lu… - Plos one, 2020 - journals.plos.org
Oligomeric amyloid β (A β) is currently considered the most neurotoxic form of the A β
peptide implicated in Alzheimer's disease (AD). The molecular structures of the oligomers …
peptide implicated in Alzheimer's disease (AD). The molecular structures of the oligomers …
Treat Alzheimer's disease by traditional Chinese medicine?
MF Sun, TT Chang, KC Chen, SC Yang… - Molecular …, 2011 - Taylor & Francis
Upregulated phosphodiesterase 4D (PDE4D) disrupts the regulation of calcium ion channel
in the central nerve system, and hence it is considered as one of the causes of Alzheimer's …
in the central nerve system, and hence it is considered as one of the causes of Alzheimer's …
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 …
Estudo da interação do scFv do anticorpo Rituximab com a alça do receptor CD20: avaliação da energia livre de ligação pelo método ABF para proposição de …
AS Rebouças - 2018 - arca.fiocruz.br
Diante da relevância dos casos de câncer no mundo, o estudo de alternativas para o
tratamento é de extrema importância, e uma delas é a obtenção de anticorpos monoclonais …
tratamento é de extrema importância, e uma delas é a obtenção de anticorpos monoclonais …
Understanding the molecular mechanisms behind the interactions of amyloid beta oligomers (AβO) with an AβO-specific antibody and the AβO-receptors
M Khorvash - 2020 - open.library.ubc.ca
Alzheimer's disease (AD) is the most common cause of cognitive impairment. It is
characterized by the presence of plaques in the brain consisting of protein fragments called …
characterized by the presence of plaques in the brain consisting of protein fragments called …
Configurational entropy reallocation and complex loop dynamics of the mosquito-stage Pvs25 protein complexed with the fab fragment of the malaria transmission …
A Stavrakoudis, IG Tsoulos - Journal of Chemical Theory and …, 2011 - ACS Publications
Pvs25 is a protein of unique 3D structure, and it is characterized by the presence of repeated
EGF-like domains and 11 disulfide bonds. It is a very important candidate for the …
EGF-like domains and 11 disulfide bonds. It is a very important candidate for the …
Avaliação da dinâmica estrutural do domínio variável de anticorpos de cadeia pesada única derivados de camelídeos (VHH)
WCS Adan - 2020 - ri.ufs.br
Anticorpos de cadeia pesada única derivados de camelídeos (HCAb) utilizam o domínio
variável N-terminal para estabelecer a interação com o antígeno. Quando isolado, este …
variável N-terminal para estabelecer a interação com o antígeno. Quando isolado, este …