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药物设计

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材料科学
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经济学与金融学
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药物设计论文


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药物-蛋白质亲和力预测 药物-靶标相互作用预测 药物重定向 分子性质预测 蛋白质-蛋白质亲和力预测
药物代谢 药物毒理学 药物安全 抗原表位预测 药物-药物相互作用预测
基于配体的从头药物设计 基于受体的从头药物设计 药物知识图谱 药物-靶标的分子对接 分子逆合成设计
AI分子生成 抗体药物发现 免疫治疗(含CAR-T) 制药公司论文 AI4Drug-Papers

抗体药物发现

1 Designing antibodies as therapeutics. CELL. 2022
2 DeepSCM: An efficient convolutional neural network surrogate model for the screening of therapeutic antibody viscosity. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL. 2022
3 Deep Learning in Therapeutic Antibody Development. Methods in molecular biology. 2022
4 Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning.NATURE BIOMEDICAL ENGINEERING.2021
5 Predicting unseen antibodies' neutralizability via adaptive graph neural networks. Nature Machine Intelligence 2022, 4, 964-76.
6 DeepSCM: An efficient convolutional neural network surrogate model for the screening of therapeutic antibody viscosity. Computational and Structural Biotechnology Journal 2022, 20, 2143-52.
7 Predicting antibody binders and generating synthetic antibodies using deep learning. Mabs 2022, 14.
8 Co-optimization of therapeutic antibody affinity and specificity using machine learning models that generalize to novel mutational space. Nature Communications 2022, 13.
9 The immuneML ecosystem for machine learning analysis of adaptive immune receptor repertoires. Nature Machine Intelligence 2021, 3, 936-+.
10 Applications of Machine and Deep Learning in Adaptive Immunity. In: Doherty MF, Segalman RA, editors. Annual Review of Chemical and Biomolecular Engineering, Vol 12, 2021. Annual Review of Chemical and Biomolecular Engineering. 122021. p. 39-62.
11 Bridging the neutralization gap for unseen antibodies. Nature Machine Intelligence 2022.
12 DLAB: deep learning methods for structure-based virtual screening of antibodies. Bioinformatics 2022, 38, 377-83.
13 Deep mutational learning predicts ACE2 binding and antibody escape to combinatorial mutations in the SARS-CoV-2 receptor-binding domain. Cell 2022, 185, 4008-+.
14 Machine-designed biotherapeutics: opportunities, feasibility and advantages of deep learning in computational antibody discovery. Briefings in Bioinformatics 2022, 23.
15 Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning. NATURE BIOMEDICAL ENGINEERING. 2021
16 Deep Learning Driven Drug Discovery: Tackling Severe Acute Respiratory Syndrome Coronavirus 2. FRONTIERS IN MICROBIOLOGY. 2021
17 DLAB: deep learning methods for structure-based virtual screening of antibodies. Bioinformatics. 2022
18 De novo design and Rosetta-based assessment of high-affinity antibody variable regions (Fv) against the SARS-CoV-2 spike receptor binding domain (RBD). PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 2022
19 ABlooper: fast accurate antibody CDR loop structure prediction with accuracy estimation. BIOINFORMATICS 2022
20 Advances in computational structure-based antibody design. CURRENT OPINION IN STRUCTURAL BIOLOGY. 2022
21 De novo design and Rosetta-based assessment of high-affinity antibody variable regions (Fv) against the SARS-CoV-2 spike receptor binding domain (RBD). PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 2022
22 TCRpower: quantifying the detection power of T-cell receptor sequencing with a novel computational pipeline calibrated by spike-in sequences. BRIEFINGS IN BIOINFORMATICS. 2022
23 Humanization of antibodies using a machine learning approach on large-scale repertoire data.BIOINFORMATICS. 2022
24 BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning. MABS. 2022
25 Deep mutational learning predicts ACE2 binding and antibody escape to combinatorial mutations in the SARS-CoV-2 receptor-binding domain. CELL .2022
26 Computational design of vaccine immunogens. Current Opinion in Biotechnology 2022, 78.
27 D3AI-Spike: A deep learning platform for predicting binding affinity between SARS-CoV-2 spike receptor binding domain with multiple amino acid mutations and human angiotensin-converting enzyme 2. Computers in Biology and Medicine 2022, 151.
28 Deep mutational scans for ACE2 binding, RBD expression, and antibody escape in the SARS-CoV-2 Omicron BA.1 and BA.2 receptor-binding domains. Plos Pathogens 2022, 18.
   
   
   
   
   
   
   
   
   
   

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