相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA
Melissa F. Adasme et al.
NUCLEIC ACIDS RESEARCH (2021)
RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases
Snahel Patel et al.
CELL DEATH AND DIFFERENTIATION (2020)
In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs
Zarko Gagic et al.
FRONTIERS IN CHEMISTRY (2020)
ProteinsPlus: interactive analysis of protein-ligand binding interfaces
Katrin Schoening-Stierand et al.
NUCLEIC ACIDS RESEARCH (2020)
Receptor-interacting protein kinase 1 (RIPK1) as a therapeutic target
Lauren Mifflin et al.
NATURE REVIEWS DRUG DISCOVERY (2020)
Predicting novel drugs for SARS-CoV-2 using machine learning from a >10 million chemical space
Joel Kowalewski et al.
HELIYON (2020)
Identification of a novel class of RIP1/RIP3 dual inhibitors that impede cell death and inflammation in mouse abdominal aortic aneurysm models
Ting Zhou et al.
CELL DEATH & DISEASE (2019)
Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase
Philip A. Harris et al.
JOURNAL OF MEDICINAL CHEMISTRY (2019)
Targeting RIPK1 for the treatment of human diseases
Alexei Degterev et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2019)
Discovery of potent necroptosis inhibitors targeting RIPK1 kinase activity for the treatment of inflammatory disorder and cancer metastasis
Jue Hou et al.
CELL DEATH & DISEASE (2019)
ChEMBL: towards direct deposition of bioassay data
David Mendez et al.
NUCLEIC ACIDS RESEARCH (2019)
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
Nicolas Bosc et al.
JOURNAL OF CHEMINFORMATICS (2019)
What Makes a Kinase Promiscuous for Inhibitors?
Sonya M. Hanson et al.
CELL CHEMICAL BIOLOGY (2019)
Multitask Machine Learning for Classifying Highly and Weakly Potent Kinase Inhibitors
Raquel Rodriguez-Perez et al.
ACS OMEGA (2019)
Discovery of 7-Oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships
Masato Yoshikawa et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?
David Ramirez et al.
MOLECULES (2018)
Regulation of a distinct activated RIPK1 intermediate bridging complex I and complex II in TNFα-mediated apoptosis
Palak Amin et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics
Josiane Cruz et al.
JOURNAL OF MOLECULAR MODELING (2018)
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Agnes Meyder et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases
Philip A. Harris et al.
JOURNAL OF MEDICINAL CHEMISTRY (2017)
Necroptosis in neurodegenerative diseases: a potential therapeutic target
Shuo Zhang et al.
CELL DEATH & DISEASE (2017)
SIENA: Efficient Compilation of Selective Protein Binding Site Ensembles
Stefan Bietz et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)
DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors
Philip A. Harris et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
OmniPath: guidelines and gateway for literature-curated signaling pathway resources
Denes Turei et al.
NATURE METHODS (2016)
Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power
Zhe Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood
Natalia Aniceto et al.
JOURNAL OF CHEMINFORMATICS (2016)
Target prediction utilising negative bioactivity data covering large chemical space
Lewis H. Mervin et al.
JOURNAL OF CHEMINFORMATICS (2015)
Structural Basis of RIP1 Inhibition by Necrostatins
Tian Xie et al.
STRUCTURE (2013)
Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis
Philip A. Harris et al.
ACS MEDICINAL CHEMISTRY LETTERS (2013)
Quantifying the chemical beauty of drugs
G. Richard Bickerton et al.
NATURE CHEMISTRY (2012)
Chemical Name to Structure: OPSIN, an Open Source Solution
Daniel M. Lowe et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
Jonathan B. Baell et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Optical Structure Recognition Software To Recover Chemical Information: OSRA, An Open Source Solution
Igor V. Filippov et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Identification of RIP1 kinase as a specific cellular target of necrostatins
Alexei Degterev et al.
NATURE CHEMICAL BIOLOGY (2008)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)
分享论文
