Related references
Note: Only part of the references are listed.Delineating the active site architecture of G9a lysine methyltransferase through substrate and inhibitor binding mode analysis: a molecular dynamics study
M. Ramya Chandar Charles et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)
Insights from pharmacological similarity of epigenetic targets in epipolypharmacology
J. Jesus Naveja et al.
DRUG DISCOVERY TODAY (2018)
Discovery of Novel Pazopanib-Based HDAC and VEGFR Dual Inhibitors Targeting Cancer Epigenetics and Angiogenesis Simultaneously
Jie Zang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces
Obdulia Rabal et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships
Mariana Gonzalez-Medina et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism and Epigenetics: Discovery of Novel Nicotinamide Phosphoribosyltransferase (NAMPT) and Histone Deacetylase (HDAC) Dual Inhibitors
Guoqiang Dong et al.
JOURNAL OF MEDICINAL CHEMISTRY (2017)
Discovery of first-in-class reversible dual small molecule inhibitors against G9a and DNMTs in hematological malignancies
Edurne San Jose-Eneriz et al.
NATURE COMMUNICATIONS (2017)
Data Warrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis
Thomas Sander et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Activity cliffs and activity cliff generators based on chemotype-related activity landscapes
Jaime Perez-Villanueva et al.
MOLECULAR DIVERSITY (2015)
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
Maykel Cruz-Monteagudo et al.
DRUG DISCOVERY TODAY (2014)
Dual kinase-bromodomain inhibitors for rationally designed polypharmacology
Pietro Ciceri et al.
NATURE CHEMICAL BIOLOGY (2014)
Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
Jose L. Medina-Franco
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Structure-Based Mechanistic Insights into DNMT1-Mediated Maintenance DNA Methylation
Jikui Song et al.
SCIENCE (2012)
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
Austin B. Yongye et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells
Masoud Vedadi et al.
NATURE CHEMICAL BIOLOGY (2011)
Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1)
Kohei Takeshita et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Structure-activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps
Jaime Perez-Villanueva et al.
MEDCHEMCOMM (2011)
Protein Lysine Methyltransferase G9a Inhibitors: Design, Synthesis, and Structure Activity Relationships of 2,4-Diamino-7-aminoalkoxy-quinazolines.
Feng Liu et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: Four approaches that performed well in CASP8
Elmar Krieger et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2009)
Structure-activity landscape index: Identifying and quantifying activity cliffs
Rajarshi Guha et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach
AE Cho et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)