Research graph
References from Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1038/nrd.2016.29
10.1038/nrd.2016.29 · External reference
10.1128/mcb.24.16.7003-7014.2004
10.1128/mcb.24.16.7003-7014.2004 · External reference
The structure of the BIR3 domain of cIAP1 in complex with the N-terminal peptides of SMAC and caspase-9
10.1107/s0907444908039243 · 2009 · External reference
10.1126/science.1062236
10.1126/science.1062236 · External reference
10.1021/jm8006992
10.1021/jm8006992 · External reference
10.1038/35050006
10.1038/35050006 · External reference
10.1016/j.drudis.2010.01.003
10.1016/j.drudis.2010.01.003 · External reference
10.1074/jbc.m112045200
10.1074/jbc.m112045200 · External reference
10.1038/35050012
10.1038/35050012 · External reference
10.1039/c5cs00252d
10.1039/c5cs00252d · External reference
10.1126/science.7529940
10.1126/science.7529940 · External reference
Features of protein–protein interactions that translate into potent inhibitors: topology, surface area and affinity
10.1017/erm.2012.10 · 2012 · External reference
10.1016/j.jmgm.2017.02.013
10.1016/j.jmgm.2017.02.013 · External reference
10.1002/minf.201000174
10.1002/minf.201000174 · External reference
Fragment molecular orbital method: an approximate computational method for large molecules
10.1016/s0009-2614(99)00874-x · 1999 · External reference
Exploring chemistry with the fragment molecular orbital method
10.1039/c2cp23784a · 2012 · External reference
Extending the power of quantum chemistry to large systems with the fragment molecular orbital method
2007 · External reference
Comparative binding analysis of dipeptidyl peptidase IV (DPP-4) with antidiabetic drugs–an ab initio fragment molecular orbital study
10.1371/journal.pone.0166275 · 2016 · External reference
Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission
10.1021/jp803369x · 2008 · External reference
Fragment-based drug discovery targeting inhibitor of apoptosis proteins: discovery of a non-alanine lead series with dual activity against cIAP1 and XIAP
10.1021/acs.jmedchem.5b00706 · 2015 · External reference
Discovery of a potent nonpeptidomimetic, small-molecule antagonist of cellular inhibitor of apoptosis protein 1 (cIAP1) and X-linked inhibitor of apoptosis protein (XIAP)
10.1021/acs.jmedchem.6b01877 · 2017 · External reference
Natural products used as a chemical library for protein–protein interaction targeted drug discovery
10.1016/j.jmgm.2017.10.015 · 2018 · External reference
10.1038/nsb0902-646
10.1038/nsb0902-646 · External reference
SPR-based fragment screening: advantages and applications
10.2174/156802607782341073 · 2007 · External reference
10.1007/s10822-013-9644-8
10.1007/s10822-013-9644-8 · External reference
Fragment molecular orbital method: application to polypeptides
10.1016/s0009-2614(00)00070-1 · 2000 · External reference
Pair interaction energy decomposition analysis
10.1002/jcc.20496 · 2007 · External reference
The fragment molecular orbital method reveals new insight into the chemical nature of GPCR–ligand interactions
10.1021/acs.jcim.5b00644 · 2015 · External reference
Subsystem analysis for the fragment molecular orbital method and its application to protein–ligand binding in solution
2016 · External reference
10.1021/acs.jmedchem.6b00045
10.1021/acs.jmedchem.6b00045 · External reference
Using the fragment molecular orbital method to investigate agonist–orexin-2 receptor interactions
10.1042/bst20150250 · 2016 · External reference
GAMESS as a free quantum-mechanical platform for drug research
10.2174/156802612804910269 · 2012 · External reference
Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method
10.1063/1.1769362 · 2004 · External reference
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)
10.1002/jcc.20406 · 2006 · External reference
Geometry optimization of the active site of a large system with the fragment molecular orbital method
10.1021/jz1016894 · 2011 · External reference
Unresolved reference
2012 · External reference
10.1517/17460441.2015.1032936
10.1517/17460441.2015.1032936 · External reference
10.1007/s00044-014-1185-8
10.1007/s00044-014-1185-8 · External reference
10.1063/1.470117
10.1063/1.470117 · External reference
10.1103/physreva.31.1695
10.1103/physreva.31.1695 · External reference
10.1063/1.467468
10.1063/1.467468 · External reference
A multiple-time-step molecular dynamics algorithm for macromolecules
10.1021/j100078a035 · 1994 · External reference
10.1074/jbc.m006226200
10.1074/jbc.m006226200 · External reference
10.1016/j.ab.2007.10.032
10.1016/j.ab.2007.10.032 · External reference
10.1021/jm8006849
10.1021/jm8006849 · External reference
10.1002/pro.523
10.1002/pro.523 · External reference
10.1016/j.bmc.2012.09.020
10.1016/j.bmc.2012.09.020 · External reference
Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo [1, 2-a] pyrazine scaffold as a novel proline mimetic
10.1021/jm301674z · 2013 · External reference
(-)-Epigallocatechin gallate induced apoptosis in human adrenal cancer NCI-H295 cells through caspase-dependent and caspase-independent pathway
2009 · External reference
Inhibition of FLT3 expression by green tea catechins in FLT3 mutated-AML cells
10.1371/journal.pone.0066378 · 2013 · External reference
