Related references
Note: Only part of the references are listed.Structure based docking and molecular dynamics studies: Peroxisome proliferator-activated receptors -α/γ dual agonists for treatment of metabolic disorders
Virendra Nath et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Discovery and identification of putative adenosine kinase inhibitors as potential anti-epileptic agents from structural insights
Pakhuri Mehta et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Mining of potential dipeptidyl peptidase-IV inhibitors as anti-diabetic agents using integrated in silico approaches
Shweta Sharma et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Molecular dynamics insights for PI3K-δ inhibition & structure guided identification of novel PI3K-δ inhibitors
Shubham Srivastava et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)
Targeted Covalent Inhibition of Prolyl Oligopeptidase (POP): Discovery of Sulfonylfluoride Peptidomimetics
Salvador Guardiola et al.
CELL CHEMICAL BIOLOGY (2018)
Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations
Ruchi Malik et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2017)
FAF-Drugs3: a web server for compound property calculation and chemical library design
David Lagorce et al.
NUCLEIC ACIDS RESEARCH (2015)
A comparative study of the binding modes of recently launched dipeptidyl peptidase IV inhibitors in the active site
Mika Nabeno et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2013)
Discovery of novel DPP IV inhibitors: application of pharmacophore-based virtual screening
Jyoti Sharma et al.
MEDICINAL CHEMISTRY RESEARCH (2013)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
Integrating structure-based and ligand-based approaches for computational drug design
Gregory L. Wilson et al.
FUTURE MEDICINAL CHEMISTRY (2011)
Linagliptin: A Novel Xanthine-Based Dipeptidyl Peptidase-4 Inhibitor for Treatment of Type II Diabetes Mellitus
Somsuvra B. Ghatak et al.
CURRENT DIABETES REVIEWS (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)
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl et al.
JOURNAL OF CHEMINFORMATICS (2009)
Pyrrolidinyl pyridone and pyrazinone analogues as potent inhibitors of prolyl oligopeptidase (POP)
Curt D. Haffner et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Benzimidazolium Salts as Small, Nonpeptidic and BBB-Permeable Human Prolyl Oligopeptidase Inhibitors
Teresa Tarrago et al.
CHEMMEDCHEM (2008)
Combining ligand- and structure-based methods in drug design projects
Olivier Sperandio et al.
CURRENT COMPUTER-AIDED DRUG DESIGN (2008)
4,5-diarylisoxazole HSP90 chaperone inhibitors: Potential therapeutic agents for the treatment of cancer
Paul A. Brough et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Benchmarking the reliability of QikProp. Correlation between experimental and predicted values
Leukothea Ioakimidis et al.
QSAR & COMBINATORIAL SCIENCE (2008)
Improved protein-ligand docking using GOLD
ML Verdonk et al.
PROTEINS-STRUCTURE FUNCTION AND GENETICS (2003)
Share Paper
