Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313531775> ?p ?o ?g. }
- W4313531775 endingPage "100374" @default.
- W4313531775 startingPage "100374" @default.
- W4313531775 abstract "Antibodies are multimeric proteins capable of highly specific molecular recognition. The complementarity determining region 3 of the antibody variable heavy chain (CDRH3) often dominates antigen-binding specificity. Hence, it is a priority to design optimal antigen-specific CDRH3 to develop therapeutic antibodies. The combinatorial structure of CDRH3 sequences makes it impossible to query binding-affinity oracles exhaustively. Moreover, antibodies are expected to have high target specificity and developability. Here, we present AntBO, a combinatorial Bayesian optimization framework utilizing a CDRH3 trust region for an in silico design of antibodies with favorable developability scores. The in silico experiments on 159 antigens demonstrate that AntBO is a step toward practically viable in vitro antibody design. In under 200 calls to the oracle, AntBO suggests antibodies outperforming the best binding sequence from 6.9 million experimentally obtained CDRH3s. Additionally, AntBO finds very-high-affinity CDRH3 in only 38 protein designs while requiring no domain knowledge." @default.
- W4313531775 created "2023-01-06" @default.
- W4313531775 creator A5000651751 @default.
- W4313531775 creator A5000751357 @default.
- W4313531775 creator A5007901825 @default.
- W4313531775 creator A5012157944 @default.
- W4313531775 creator A5012186713 @default.
- W4313531775 creator A5017929614 @default.
- W4313531775 creator A5024042340 @default.
- W4313531775 creator A5027297585 @default.
- W4313531775 creator A5042241049 @default.
- W4313531775 creator A5044115910 @default.
- W4313531775 creator A5051850545 @default.
- W4313531775 creator A5059416497 @default.
- W4313531775 creator A5062912204 @default.
- W4313531775 creator A5080042043 @default.
- W4313531775 creator A5089158926 @default.
- W4313531775 date "2023-01-01" @default.
- W4313531775 modified "2023-09-30" @default.
- W4313531775 title "Toward real-world automated antibody design with combinatorial Bayesian optimization" @default.
- W4313531775 cites W1510052597 @default.
- W4313531775 cites W1595347157 @default.
- W4313531775 cites W1891993075 @default.
- W4313531775 cites W1964514131 @default.
- W4313531775 cites W1966140823 @default.
- W4313531775 cites W1982679430 @default.
- W4313531775 cites W1988966248 @default.
- W4313531775 cites W2000107365 @default.
- W4313531775 cites W2011301426 @default.
- W4313531775 cites W2017956110 @default.
- W4313531775 cites W2023490488 @default.
- W4313531775 cites W2036808217 @default.
- W4313531775 cites W2063822856 @default.
- W4313531775 cites W2063996876 @default.
- W4313531775 cites W2065303540 @default.
- W4313531775 cites W2083028331 @default.
- W4313531775 cites W2083771969 @default.
- W4313531775 cites W2091477384 @default.
- W4313531775 cites W2099367604 @default.
- W4313531775 cites W2116680866 @default.
- W4313531775 cites W2117012297 @default.
- W4313531775 cites W2118265845 @default.
- W4313531775 cites W2121627241 @default.
- W4313531775 cites W2129033354 @default.
- W4313531775 cites W2147135660 @default.
- W4313531775 cites W2150884352 @default.
- W4313531775 cites W2158229944 @default.
- W4313531775 cites W2163174206 @default.
- W4313531775 cites W2166103775 @default.
- W4313531775 cites W2171546617 @default.
- W4313531775 cites W2192203593 @default.
- W4313531775 cites W2238330501 @default.
- W4313531775 cites W2283896596 @default.
- W4313531775 cites W2474661075 @default.
- W4313531775 cites W2765094271 @default.
- W4313531775 cites W2793209087 @default.
- W4313531775 cites W2801965704 @default.
- W4313531775 cites W2895146543 @default.
- W4313531775 cites W2901312940 @default.
- W4313531775 cites W2904971004 @default.
- W4313531775 cites W2913847447 @default.
- W4313531775 cites W2915870000 @default.
- W4313531775 cites W2916426481 @default.
- W4313531775 cites W2917097596 @default.
- W4313531775 cites W2956569764 @default.
- W4313531775 cites W2963981387 @default.
- W4313531775 cites W2980372463 @default.
- W4313531775 cites W2980681402 @default.
- W4313531775 cites W3005822506 @default.
- W4313531775 cites W3008570337 @default.
- W4313531775 cites W3014709736 @default.
- W4313531775 cites W3042293051 @default.
- W4313531775 cites W3082498841 @default.
- W4313531775 cites W3094704314 @default.
- W4313531775 cites W3104783716 @default.
- W4313531775 cites W3119296790 @default.
- W4313531775 cites W3125817081 @default.
- W4313531775 cites W3128461460 @default.
- W4313531775 cites W3138201777 @default.
- W4313531775 cites W3138783506 @default.
- W4313531775 cites W3143916713 @default.
- W4313531775 cites W3154275519 @default.
- W4313531775 cites W3156522942 @default.
- W4313531775 cites W3163342170 @default.
- W4313531775 cites W3194642052 @default.
- W4313531775 cites W3197596721 @default.
- W4313531775 cites W3207204660 @default.
- W4313531775 cites W4205117348 @default.
- W4313531775 cites W4205773061 @default.
- W4313531775 cites W4220959747 @default.
- W4313531775 cites W4225693775 @default.
- W4313531775 cites W4280625391 @default.
- W4313531775 cites W4283588088 @default.
- W4313531775 cites W4283754535 @default.
- W4313531775 cites W4313430583 @default.
- W4313531775 doi "https://doi.org/10.1016/j.crmeth.2022.100374" @default.
- W4313531775 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36814835" @default.
- W4313531775 hasPublicationYear "2023" @default.