Theoretical approaches to protein aggregation

J Gsponer, M Vendruscolo - Protein and peptide letters, 2006 - benthamdirect.com
The process of protein misfolding and aggregation has been associated with an increasing
number of pathological conditions that include Alzheimer's and Parkinson's diseases, and …

Design of therapeutic proteins with enhanced stability

N Chennamsetty, V Voynov, V Kayser, B Helk… - Proceedings of the …, 2009 - pnas.org
Therapeutic proteins such as antibodies constitute the most rapidly growing class of
pharmaceuticals for use in diverse clinical settings including cancer, chronic inflammatory …

Interpreting the aggregation kinetics of amyloid peptides

R Pellarin, A Caflisch - Journal of molecular biology, 2006 - Elsevier
Amyloid fibrils are insoluble mainly β-sheet aggregates of proteins or peptides. The multi-
step process of amyloid aggregation is one of the major research topics in structural biology …

The role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35

J Gsponer, U Haberthür, A Caflisch - … of the National Academy of Sciences, 2003 - pnas.org
Understanding the early steps of aggregation at atomic detail might be crucial for the rational
design of therapeutics preventing diseases associated with amyloid deposits. In this paper …

Prediction of aggregation prone regions of therapeutic proteins

N Chennamsetty, V Voynov, V Kayser… - The Journal of …, 2010 - ACS Publications
Therapeutic proteins such as antibodies are playing an increasingly prominent role in the
treatment of numerous diseases including cancer and rheumatoid arthritis. However, these …

Replica exchange molecular dynamics simulations of amyloid peptide aggregation

M Cecchini, F Rao, M Seeber, A Caflisch - The Journal of chemical …, 2004 - pubs.aip.org
The replica exchange molecular dynamics (REMD) approach is applied to four oligomeric
peptide systems. At physiologically relevant temperature values REMD samples …

Nucleotide deoxysugars: essential tools for the glycosylation engineering of novel bioactive compounds

C Rupprath, T Schumacher… - Current medicinal …, 2005 - benthamdirect.com
The irreversible spread of new resistance mechanisms against existing therapeutical
antibiotics has led to the development of technologies and strategies for the glycosylation …

Reduced models of proteins and their applications

A Kolinski, J Skolnick - Polymer, 2004 - Elsevier
Reduced computer modeling of proteins now has a history of about 30 years. In spite of the
enormous increase in computing abilities, reduced models are still very important tools for …

Self-assembly of ionic-complementary peptides: a physicochemical viewpoint

P Chen - Colloids and Surfaces A: Physicochemical and …, 2005 - Elsevier
A major focus in the current development in nanotechnology and biotechnology is to find
suitable molecular materials that are amenable to engineering design. Self-assembling …

Aggregation-prone motifs in human immunoglobulin G

N Chennamsetty, B Helk, V Voynov, V Kayser… - Journal of molecular …, 2009 - Elsevier
Therapeutic antibodies of many different IgG subclasses (IgG1, IgG2 and IgG4) are used in
the treatment of various cancers, rheumatoid arthritis and other inflammatory and infectious …