Related references
Note: Only part of the references are listed.Combinatorial immunotherapies overcome MYC-driven immune evasion in triple negative breast cancer
Joyce V. Lee et al.
NATURE COMMUNICATIONS (2022)
Ceritinib is a novel triple negative breast cancer therapeutic agent
Shengli Dong et al.
MOLECULAR CANCER (2022)
Machine Learning-Based Scoring Functions, Development and Applications with SAnDReS
Gabriela Bitencourt-Ferreira et al.
CURRENT MEDICINAL CHEMISTRY (2021)
The coefficient of determination R-squared is more informative than SMAPE, MAE, MAPE, MSE and RMSE in regression analysis evaluation
Davide Chicco et al.
PEERJ COMPUTER SCIENCE (2021)
Recent progress in development of cyclin-dependent kinase 7 inhibitors for cancer therapy
Hanzhi Liang et al.
EXPERT OPINION ON INVESTIGATIONAL DRUGS (2021)
Application of Machine Learning Techniques for Drug Discovery
Walter Filgueira de Azevedo
CURRENT MEDICINAL CHEMISTRY (2021)
Global Phosphoproteomics Reveal CDK Suppression as a Vulnerability to KRas Addiction in Pancreatic Cancer
Aslamuzzaman Kazi et al.
CLINICAL CANCER RESEARCH (2021)
Structure of the human Mediator-RNA polymerase II pre-initiation complex
Srinivasan Rengachari et al.
NATURE (2021)
DOME: recommendations for supervised machine learning validation in biology
Ian Walsh et al.
NATURE METHODS (2021)
An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19
Arun Bahadur Gurung et al.
BIOMED RESEARCH INTERNATIONAL (2021)
KEGG: integrating viruses and cellular organisms
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2021)
p53: An Attractive Therapeutic Target for Cancer
Krupa R. Patel et al.
CURRENT MEDICINAL CHEMISTRY (2020)
Mechanisms of Chemotherapy Resistance in Triple-Negative Breast Cancer-How We Can Rise to the Challenge
Milica Nedeljkovic et al.
CELLS (2019)
Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory
Richard L. Marchese Robinson et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
ChEMBL: towards direct deposition of bioassay data
David Mendez et al.
NUCLEIC ACIDS RESEARCH (2019)
Cytoscape Automation: empowering workflow-based network analysis
David Otasek et al.
GENOME BIOLOGY (2019)
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2018)
Development of CDK-targeted scoring functions for prediction of binding affinity
Nayara Maria Bernhardt Levin et al.
BIOPHYSICAL CHEMISTRY (2018)
Development of a machine-learning model to predict Gibbs free energy of binding for protein-ligand complexes
Gabriela Bitencourt-Ferreira et al.
BIOPHYSICAL CHEMISTRY (2018)
Supervised Machine Learning Methods Applied to Predict Ligand-Binding Affinity
Gabriela S. Heck et al.
CURRENT MEDICINAL CHEMISTRY (2017)
Targeting Multiple Cyclin-Dependent Kinases (CDKs): A New Strategy for Molecular Docking Studies
Walter Filgueira de Azevedo
CURRENT DRUG TARGETS (2016)
STITCH 5: augmenting protein-chemical interaction networks with tissue and affinity data
Damian Szklarczyk et al.
NUCLEIC ACIDS RESEARCH (2016)
Biology and Management of Patients With Triple-Negative Breast Cancer
Priyanka Sharma
ONCOLOGIST (2016)
ZINC 15-Ligand Discovery for Everyone
Teague Sterling et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Cyclin-dependent kinases
Marcos Malumbres
GENOME BIOLOGY (2014)
One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery
Gregory A. Ross et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508
Sonja Baumli et al.
ACS CHEMICAL BIOLOGY (2012)
Novel, Selective CDK9 Inhibitors for the Treatment of HIV Infection
G. Nemeth et al.
CURRENT MEDICINAL CHEMISTRY (2011)
SwissParam: A Fast Force Field Generation Tool for Small Organic Molecules
Vincent Zoete et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Navigating the kinome
James T. Metz et al.
NATURE CHEMICAL BIOLOGY (2011)
Probing the links between in vitro potency, ADMET and physicochemical parameters
M. Paul Gleeson et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
CHARMM: The Biomolecular Simulation Program
B. R. Brooks et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Sonja Baumli et al.
EMBO JOURNAL (2008)
Cyclin box structure of the P-TEFb subunit cyclin T1 derived from a fusion complex with EIAV Tat
Kanchan Anand et al.
JOURNAL OF MOLECULAR BIOLOGY (2007)
The bromodomain protein Brd4 is a positive regulatory component of P-TEFb and stimulates RNA polymerase II-dependent transcription
MK Jang et al.
MOLECULAR CELL (2005)
Structure of human PNP complexed with ligands
F Canduri et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2005)
The crystal structure of human CDK7 and its protein recognition properties
G Lolli et al.
STRUCTURE (2004)
Structure validation by Cα geometry:: φ,ψ and Cβ deviation
SC Lovell et al.
PROTEINS-STRUCTURE FUNCTION AND GENETICS (2003)
LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
CM Venkatachalam et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2003)