Artificial neural networks for efficient clustering of conformational ensembles and their potential for medicinal chemistry
A Pandini, D Fraccalvieri… - Current Topics in Medicinal …, 2013 - ingentaconnect.com
The biological function of proteins is strictly related to their molecular flexibility and
dynamics: enzymatic activity, protein-protein interactions, ligand binding and allosteric …
dynamics: enzymatic activity, protein-protein interactions, ligand binding and allosteric …
Bis (imidate) palladium (II) complexes with labile ligands. Mimics of classical precursors?
A novel synthetic route to prepare palladium (II) precursor analogous of classical [Pd (Cl) 2
(solvent) 2] has been developed. Just stirring Pd3 (AcO) 6 in dimethyl sulfide at room …
(solvent) 2] has been developed. Just stirring Pd3 (AcO) 6 in dimethyl sulfide at room …
Synthesis and luminescence properties of cyclopalladated complexes with S⁁ N and O⁁ N donor ligands
MD Santana, R García-Bueno, G García… - Dalton …, 2011 - pubs.rsc.org
The direct reaction between the hydroxo-complexes [{Pd (μ-OH)(C⁁ N)} 2] and protonated
S⁁ N-donor ligands to yield new dinuclear cyclometallated palladium (II) complexes …
S⁁ N-donor ligands to yield new dinuclear cyclometallated palladium (II) complexes …
New phospha-palladacycles: efficient catalysts in the formylation of aryl chlorides
JL Serrano, J Pérez, L Garcia, G Sánchez, J Garcia… - RSC …, 2012 - pubs.rsc.org
The direct reaction between [{Pd (μ-AcO)(CˆP)} 2] 1 and cyclic imides to yield new dinuclear
cyclometallated palladium (II) complexes containing–NCO–bridging imidates of general …
cyclometallated palladium (II) complexes containing–NCO–bridging imidates of general …
Luminescence of five-coordinated nickel (II) complexes with substituted-8-hydroxyquinolines and macrocyclic ligands
MD Santana, R García-Bueno, G García, J Pérez… - Dalton …, 2010 - pubs.rsc.org
A series of heteroleptic quinolinolate pentacoordinated nickel (II) complexes,[Ni (mcN3)(R1,
R2, R3-8-hq)](PF6), were synthesized and characterized by spectroscopic methods. Single …
R2, R3-8-hq)](PF6), were synthesized and characterized by spectroscopic methods. Single …
Reactivity Towards Acidic Protic Ligands of Cyclopalladated Di‐μ‐hydroxo Complexes
JL Serrano, L García, J Pérez, E Pérez, J García… - 2008 - Wiley Online Library
The dinuclear hydroxo complexes [{Pd (μ‐OH)(C∧ N)} 2][C∧ N= 2‐(2‐pyridyl) phenyl
(Phpy)(I), 7, 8‐benzoquinolyl (Bzq)(II) and 2‐(2‐oxazolinyl) phenyl (Phox)(III)] react in a 1: 2 …
(Phpy)(I), 7, 8‐benzoquinolyl (Bzq)(II) and 2‐(2‐oxazolinyl) phenyl (Phox)(III)] react in a 1: 2 …
Hydrogen bonding and anion binding in structures of tris (pyrazolyl) boratenickel (II) and phosphate esters
MD Santana, L López‐Banet, G García, L García… - 2008 - Wiley Online Library
This paper presents the syntheses, crystal structures and spectroscopic properties of a
series of nickel (II) complexes containing hydrotris (3, 5‐dimethylpyrazolyl) borate and …
series of nickel (II) complexes containing hydrotris (3, 5‐dimethylpyrazolyl) borate and …
Coordination to metal centers: A tool to fix high energy conformations in organic molecules. Application to 2, 4, 4-trimethyl-1, 5, 9-triazacyclododec-1-ene and related …
J Pérez, R Carrascosa, L García, G Barandika… - Dalton …, 2011 - pubs.rsc.org
The solid state conformational preferences of ligand 2, 4, 4-trimethyl-1, 5, 9-triazacyclododec-
1-ene (L1) and its 9-methyl derivative (L2) in transition metal complexes have been …
1-ene (L1) and its 9-methyl derivative (L2) in transition metal complexes have been …
Spectroscopic and structural characterization of O, O′-(diphenylphosphineoxide) amidate and acetylacetonate complexes of pentacoordinate nickel (II)
R García-Bueno, MD Santana, G Sánchez… - Journal of …, 2009 - Elsevier
Heteroleptic nickel pentacoordinate complexes with the macrocyclic ligands 2, 4, 4-trimethyl-
1, 5, 9-triazacyclododec-1-ene (Me3-mcN3) or its 9-methyl derivative (Me4-mcN3), as …
1, 5, 9-triazacyclododec-1-ene (Me3-mcN3) or its 9-methyl derivative (Me4-mcN3), as …
Crystal structures and magnetic properties of nickel complexes with hydrotris (pyrazolyl) borate ligand and double bridged by phosphate esters
L López-Banet, MD Santana, G Garcia… - Inorganic …, 2011 - ACS Publications
The reaction between [NiTp*(μ-OH)] 2 (Tp*= hydrotris (3, 5-dimethylpyrazolyl) borate) and
(RO) 2P (O) OH (R= Et, Bu, 4-NO2-Ph) affords the dinuclear nickel phosphates [NiTp*(μ-O2P …
(RO) 2P (O) OH (R= Et, Bu, 4-NO2-Ph) affords the dinuclear nickel phosphates [NiTp*(μ-O2P …