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Molecular Informatics|April 27, 2021
Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational StudyDavide Pirolli, Benedetta Righino, Maria Cristina De RosaMolecular Informatics|May 16, 2023
Novel Inhibitors of androgen receptor's DNA binding domain identified using an ultra-large virtual screeningMariia Radaeva, Helene Morin, Mohit Pandey, et al.Molecular Informatics|May 17, 2023
In silico prediction of drug-induced liver injury with a complementary integration strategy based on hybrid representationYaxin Gu, Yimeng Wang, Zengrui Wu, et al.Molecular Informatics|July 30, 2020
Cheminformatics in Natural Product-based Drug DiscoveryYa Chen, Johannes KirchmairMolecular Informatics|July 10, 2020
Estimation of Ionic Liquids Toxicity against Leukemia Rat Cell Line IPC-81 based on the Empirical-like Models using Intuitive and Explainable Fingerprint DescriptorsTing Wu, Wanli Li, Mengyao Chen, et al.Molecular Informatics|June 25, 2020
Applications of the Pharmacophore Concept in Natural Product inspired Drug DesignThomas Seidel, Oliver Wieder, Arthur Garon, et al.Molecular Informatics|February 1, 2023
GB-score: Minimally designed machine learning scoring function based on distance-weighted interatomic contact featuresMilad Rayka, Rohoullah FirouziMolecular Informatics|November 13, 2022
FSDscore: An Effective Target-focused Scoring Criterion for Virtual ScreeningYi Hua, Dingfang Huang, Li Liang, et al.Molecular Informatics|April 28, 2021
Locally Optimizable Joint Embedding Framework to Design Nitrogen-rich Molecules that are Similar but ImprovedSangeeth Balakrishnan, Francis G VanGessel, Zois Boukouvalas, et al.Molecular Informatics|September 2, 2021
ADMET Predictability at Boehringer Ingelheim: State-of-the-Art, and Do Bigger Datasets or Algorithms Make a Difference?Stevan Aleksić, Daniel Seeliger, J B BrownPageof 101