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Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations., , and . Comput. Biol. Medicine, (2021)Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design., , , , , , , , , and 1 other author(s). KDD, page 506-517. ACM, (2023)Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design., , , , , , , , , and . CoRR, (2022)XFEL data analysis for structural biology., and . Quant. Biol., 4 (3): 159-176 (2016)Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning., , , , , , , , , and 8 other author(s). CoRR, (2023)SMT-DTA: Improving Drug-Target Affinity Prediction with Semi-supervised Multi-task Training., , , , , , , and . CoRR, (2022)Protein Shape Retrieval Contest., , , , , , , , , and 6 other author(s). 3DOR@Eurographics, page 25-31. Eurographics Association, (2019)IDPM: an online database for ion distribution in protein molecules., and . BMC Bioinform., 19 (1): 102:1-102:12 (2018)Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein., , , , , , and . Quant. Biol., 9 (1): 61 (2021)Incorporating Pre-training Paradigm for Antibody Sequence-Structure Co-design., , , , , , , , , and 1 other author(s). CoRR, (2022)