Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein–protein interface

A Metz, C Pfleger, H Kopitz… - Journal of chemical …, 2012 - ACS Publications
Protein–protein interfaces are considered difficult targets for small-molecule protein–protein
interaction modulators (PPIMs). Here, we present for the first time a computational strategy …

Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein-protein interface.

A Metz, C Pfleger, H Kopitz… - Journal of Chemical …, 2011 - europepmc.org
Protein-protein interfaces are considered difficult targets for small-molecule protein-protein
interaction modulators (PPIMs). Here, we present for the first time a computational strategy …

[PDF][PDF] Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a ProteinÀProtein Interface

A Metz, C Pfleger, H Kopitz, S Pfeiffer-Marek… - cpclab.uni-duesseldorf.de
ProteinÀprotein interfaces are considered difficult targets for small-molecule proteinÀ protein
interaction modulators (PPIMs). Here, we present for the first time a computational strategy …

[引用][C] Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein—Protein Interface

A METZ, C PFLEGER, H KOPITZ… - Journal of chemical …, 2012 - pascal-francis.inist.fr
Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to
a Protein—Protein Interface CNRS Inist Pascal-Francis CNRS Pascal and Francis …

[PDF][PDF] Hot spots and transient pockets: Predicting the determinants of small-molecule binding to a protein-protein interface

A Metz, C Pfleger, H Kopitz, S Pfeiffer-Marek… - pstorage-acs-6854636.s3 …
Starting structures for the simulations of human IL-2 and its complexes were taken from the
Protein Data Bank 1 (PDB codes: 1m47, 1m4c, 1m48, 1m49, 1pw6, 1py2, 1qvn, and 1z92) …

Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein-protein interface

A Metz, C Pfleger, H Kopitz… - Journal of …, 2012 - pubmed.ncbi.nlm.nih.gov
Protein-protein interfaces are considered difficult targets for small-molecule protein-protein
interaction modulators (PPIMs). Here, we present for the first time a computational strategy …

[引用][C] Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein—Protein Interface

A METZ, C PFLEGER, H KOPITZ… - Journal of …, 2012 - American Chemical Society