Some water molecules in binding sites are important for intermolecular interactions and
stability. The way binding site explicit water molecules are dealt with affects the diversity and …

A three-dimensional supramolecular water architectures:[Ni (phen) 3](C10H16O4)·(
C10H18O4) 0.5· 11H2O (1)[phen= 1, 10-Phenanthroline, C10H16O4= sebacic dianion …

The rapid development of Web technologies has driven a broad implementation of network-
based applications in the financial industry, as well as resulted in a variety of cyber risks …

Advancement of computational molecular dynamics allows rapid calculation of large
biomolecular systems in their water surroundings. New approaches of prediction of …

Recent findings are changing the view of water molecules in binding events from that of a
passive role to a fundamental and driving one. Water molecules can bridge protein–ligand …

Many computational methods have become standard techniques in modern drug discovery.
However, approaches which employ explicit molecular dynamics simulations still are …

Abstract Four new complexes,[Cu 2 (Bpca) 2 (L 1)(H 2 O) 2]· 3H 2 O (I),[Cu 2 (Bpca) 2 (L
2)(H 2 O) 2](II),[Cu 2 (Bpca) 2 (L 3)]· 2H 2 O (III),[Cu 2 (Bpca) 2 (L 1)(H 2 O)]· 2H 2 O …

This study was performed using animals to confirm the effect of tourmaline-ionized water
(TIW) the properties of which were changed by tourmaline energy and electric discharge. In …

A new binuclear copper (II) complex {[Cu 2 (phen) 2 (tar)(H 2 O)]· 8H 2 O} n (1) has been
synthesized and structurally characterized by single-crystal X-ray diffraction analysis. The …

A jelen PhD-disszertáció a célpont-ligandum komplexeken elvégzett számításaink
eredményeit mutatja be a molekulatervezés fragmens alapú módszereinek alkalmazásával …