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Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Structure‐based design of inhibitors of protein–protein interactions: mimicking peptide binding epitopes
M Pelay‐Gimeno, A Glas, O Koch… - Angewandte Chemie …, 2015 - Wiley Online Library
Protein–protein interactions (PPIs) are involved at all levels of cellular organization, thus
making the development of PPI inhibitors extremely valuable. The identification of selective …
making the development of PPI inhibitors extremely valuable. The identification of selective …
Small-molecule inhibitors of protein-protein interactions: progressing toward the reality
The past 20 years have seen many advances in our understanding of protein-protein
interactions (PPIs) and how to target them with small-molecule therapeutics. In 2004, we …
interactions (PPIs) and how to target them with small-molecule therapeutics. In 2004, we …
Small-molecule modulators of toll-like receptors
Conspectus Toll-like receptors (TLRs) are the “gatekeepers” of the immune system in
humans and other animals to protect the host from invading bacteria, viruses, and other …
humans and other animals to protect the host from invading bacteria, viruses, and other …
Modulators of protein–protein interactions
Since Hedin's characterization of trypsin and antitrypsin in 1906,(1) arguably the first
account of a regulatory protein–protein interaction (PPI), contemporary understanding of …
account of a regulatory protein–protein interaction (PPI), contemporary understanding of …
Peptide therapeutics: targeting the undruggable space
N Tsomaia - European journal of medicinal chemistry, 2015 - Elsevier
Rapid advancements in genomics have brought a better understanding of molecular
mechanisms for various pathologies and identified a number of highly attractive target …
mechanisms for various pathologies and identified a number of highly attractive target …
Modulating protein–protein interactions: the potential of peptides
L Nevola, E Giralt - Chemical Communications, 2015 - pubs.rsc.org
Protein–protein interactions (PPIs) have emerged as important and challenging targets in
chemical biology and medicinal chemistry. The main difficulty encountered in the discovery …
chemical biology and medicinal chemistry. The main difficulty encountered in the discovery …
Rosetta FlexPepDock web server—high resolution modeling of peptide–protein interactions
Peptide–protein interactions are among the most prevalent and important interactions in the
cell, but a large fraction of those interactions lack detailed structural characterization. The …
cell, but a large fraction of those interactions lack detailed structural characterization. The …
Rosetta FlexPepDock ab-initio: Simultaneous Folding, Docking and Refinement of Peptides onto Their Receptors
Flexible peptides that fold upon binding to another protein molecule mediate a large number
of regulatory interactions in the living cell and may provide highly specific recognition …
of regulatory interactions in the living cell and may provide highly specific recognition …
Druggable protein–protein interactions–from hot spots to hot segments
Highlights•PPIs that are dominated by a continuous epitope are amenable for inhibition.•A
significant share of PPIs contains such 'hot segments'.•Peptide-based inhibitors are obvious …
significant share of PPIs contains such 'hot segments'.•Peptide-based inhibitors are obvious …