Works by Hinge, Vijaya Kumar
Results: 7
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 11, p. 965, doi. 10.1007/s10822-019-00253-5
- By:
- Publication type:
- Article
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 913, doi. 10.1007/s10822-019-00239-3
- By:
- Publication type:
- Article
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 6, p. 605, doi. 10.1007/s10822-019-00205-z
- By:
- Publication type:
- Article
Supramolecular Complexation of Biological Phosphates with an Acyclic Triazolium-Linked Anthracenyl-1,3-Diconjugate of Calix[4]Arene: Synthesis, Characterization, Spectroscopy, Microscopy, and Computational Studies.
- Published in:
- Chemistry - A European Journal, 2014, v. 20, n. 44, p. 14378, doi. 10.1002/chem.201403353
- By:
- Publication type:
- Article
A fluorescent di-zinc(II) complex of bis-calix[4]arene conjugate as chemosensing-ensemble for the selective recognition of ATP.
- Published in:
- Supramolecular Chemistry, 2014, v. 26, n. 7/8, p. 538, doi. 10.1080/10610278.2013.868897
- By:
- Publication type:
- Article
Selective Recognition of Cysteine in Its Free and Protein-Bound States by the Zn<sup>2+</sup> Complex of a Triazole-Based Calix[4]arene Conjugate.
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 50, p. 13999, doi. 10.1002/chem.201102791
- By:
- Publication type:
- Article
A Zinc-Sensing Glucose-Based Naphthyl Imino Conjugate as a Detecting Agent for Inorganic and Organic Phosphates, Including DNA.
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 29, p. 8044, doi. 10.1002/chem.201100734
- By:
- Publication type:
- Article