WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors
Source : https://link.springer.com/article/10.1007/s10822-020-00371-5
Here we present WIDOCK, a virtual screening protocol that supports the selection of diverse electrophiles as covalent inhibitors by incorporating ligand reactivity towards cysteine residues into AutoDock4. WIDOCK applies the...
Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries
Source : https://www.nature.com/articles/s41587-020-00778-3
Current methods used for measuring amino acid side-chain reactivity lack the throughput needed to screen large chemical libraries for interactions across the proteome. Here we redesigned the workflow for activity-based...
Mechanisms of Resistance to KRASG12C Inhibitors
Source : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795113/
KRAS is a gene that is commonly mutated in cancer, especially in pancreatic, lung and colorectal cancers. Despite its importance, scientists have for many years been unable to create a...
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Anonymous User5yrGreat Review but wait for our review in Cancer Discovery!
Computational Biological Modeling Identifies PD-(L)1 Immunotherapy Sensitivity Among Molecular Subgroups of KRAS -Mutated Non-Small-Cell Lung Cancer
Source : https://ascopubs.org/doi/abs/10.1200/PO.20.00172
PURPOSE KRAS-mutated (KRASMUT) non-small-cell lung cancer (NSCLC) is emerging as a heterogeneous disease defined by comutations, which may confer differential benefit to PD-(L)1 immunotherapy. In this study, we leveraged computational...
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Anonymous User5yrFascinating! but confirms that data from Dr. F. Skoulidis group
Patient with metastatic lung adenocarcinoma in a supraclavicular lymph node and splenic marginal zone lymphoma. Both new diagnoses. Do you treat the lymphoma?