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Conservation of Hot Spots and Ligand Binding Sites in Prote..:
Ayse A. Bekar-Cesaretli
;
Omeir Khan
;
Thu Nguyen
...
doi:10.1021/acs.jcim.3c01761.s002. , 2024
Link:
https://doi.org/10.1021/acs.jcim.3c01761.s002
RT Journal T1
Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2
UL https://suche.suub.uni-bremen.de/peid=base-ftdeakinunifig:oai:figshare.com:article_25044168&Exemplar=1&LAN=DE A1 Ayse A. Bekar-Cesaretli A1 Omeir Khan A1 Thu Nguyen A1 Dima Kozakov A1 Diane Joseph-Mccarthy A1 Sandor Vajda YR 2024 K1 Biophysics K1 Biochemistry K1 Genetics K1 Biotechnology K1 Cancer K1 Computational Biology K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 using forced sampling K1 several recent papers K1 multiple initial seeds K1 computational drug discovery K1 ligand binding domains K1 binding free energy K1 model binding sites K1 ligand binding sites K1 identifying binding sites K1 hot spots predict K1 binding hot spots K1 direct ligand docking K1 mapping models taken K1 generating af2 models K1 based program alphafold2 K1 binding sites K1 hot spots K1 protein models K1 models tends K1 success rates K1 substantially improved K1 still 5 K1 small fragment K1 sized probes K1 significantly contribute K1 ray structures K1 protein surface K1 protein mapping K1 particularly large K1 neural network K1 multidomain proteins K1 local conformation K1 less sensitive K1 large fraction K1 interest rather K1 globular proteins K1 entire proteins K1 casp15 reveal K1 accurate enough JF doi:10.1021/acs.jcim.3c01761.s002 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c01761.s002 DO https://doi.org/10.1021/acs.jcim.3c01761.s002 SF ELIB - SuUB Bremen
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