Latest papers

Large-scale similarity search profiling of ChEMBL compound data sets.

A synthetic model of the Mn₃Ca subsite of the oxygen-evolving complex in photosystem II.

Electronic structure study using density functional theory in organic dendrimers.

All-electron scalar relativistic calculation of water molecule adsorption onto small gold clusters.

A new approach for aromaticity criterion based on electrostatic field gradient.

Molecular modeling study of intercalation complexes of tricyclic carboxamides with d(CCGGCGCCGG) and d(CGCGAATTCGCG).

Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes.

Theoretical study of the electronic properties of fluorographene.

Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA.

Developing the nation's biosimilars program.

Anti-depressant-like activity of a novel serotonin type-3 (5-HT3) receptor antagonist in rodent models of depression.

Protection-free one-pot synthesis of 2'-deoxynucleoside 5'-triphosphates and DNA polymerization.

Discovery and process synthesis of novel 2,7-pyrrolo[2,1-f][1,2,4]triazines.

Palladium-catalyzed approach to primary amides using nongaseous precursors.

Three-component reaction of N'-(2-alkynylbenzylidene)hydrazide, alkyne, with sulfonyl azide via a multicatalytic process: a novel and concise approach to 2-amino-H-pyrazolo[5,1-a]isoquinolines.

Palladium-catalyzed direct cross-coupling reaction of glycals with activated alkenes.

Rhodium-catalyzed oxidative ortho-acylation of benzamides with aldehydes: direct functionalization of the sp2 C-H bond.

Syntheses of chloroisosulochrin and isosulochrin and biomimetic elaboration to maldoxin, maldoxone, dihydromaldoxin, and dechlorodihydromaldoxin.

Access to optically active 3-azido- and 3-aminopiperidine derivatives by enantioselective ring expansion of prolinols.

Modular synthesis of naphthothiophenes by Pd-catalyzed tandem direct arylation/Suzuki coupling.