Binding modes of Bcl-2 homology 3 (BH3) peptides with anti-apoptotic protein A1 and redesign of peptide inhibitors: a computational study
Y Chen, J Wang, J Zhang, W Wang - Journal of Biomolecular …, 2018 - Taylor & Francis
The interaction between protein and peptide ligand is a challenging problem in molecular
biology and drug design. The binding of the Bcl-2 homology 3 (BH3) peptide to the anti …
biology and drug design. The binding of the Bcl-2 homology 3 (BH3) peptide to the anti …
[HTML][HTML] Differences in the binding affinities of ErbB family: heterogeneity in the prediction of resistance mutants
The pressure exerted by drugs targeted to a protein in any therapy inevitably leads to the
emergence of drug resistance. One major mechanism of resistance involves the mutation of …
emergence of drug resistance. One major mechanism of resistance involves the mutation of …
deltaGseg: macrostate estimation via molecular dynamics simulations and multiscale time series analysis
Binding free energy calculations obtained through molecular dynamics simulations reflect
intermolecular interaction states through a series of independent snapshots. Typically, the …
intermolecular interaction states through a series of independent snapshots. Typically, the …
[PDF][PDF] Institute of Molecular and Cell Biology1, Bioinformatics Institute2 Agency for Science, Technology and Research (A* STAR), Singapore dlow@ imcb. a-star. edu …
DHP Low, E Motakis - 2013 - 52.71.54.154
1 Introduction deltaGseg aims to identify subpopulations within time series data, and here
we have applied it to molecular dynamic (MD) simulation free binding energies to provide a …
we have applied it to molecular dynamic (MD) simulation free binding energies to provide a …
[PDF][PDF] Binding free energy calculations and molecular dynamics studies on complexes of viral proteases with their ligands
OA Kuhn - 2013 - core.ac.uk
A major aim of biomolecular modelling is the calculation of binding affinities∆ G of ligands to
proteins, especially enzymes. The spectrum of methods that has been developed for this …
proteins, especially enzymes. The spectrum of methods that has been developed for this …
[引用][C] Last data update: 2014.03. 03
R deltaGseg, DHP Low, E Motakis - 2013 - imsbio.co.jp
R Graphical Manual R Graphical Manual Download Supported by Dr. Osamu Ogasawara and
IMSBIO providing MolDesk . Browse All Last data update: 2014.03.03 deltaGseg R …
IMSBIO providing MolDesk . Browse All Last data update: 2014.03.03 deltaGseg R …