TY  - JOUR
AU  - Alcolea Palafox, Mauricio
AU  - Posada Moreno, María Paloma
AU  - Villarino Marín, Antonio Luis
AU  - Martínez Rincón, María Del Carmen
AU  - Ortuño Soriano, Ismael
AU  - Zaragoza García, Ignacio
PY  - 2011
DO  - 10.1007/s10822-010-9406-9
SN  - 0920-654X
SN  - 1573-4951
UR  - https://hdl.handle.net/20.500.14352/131090
T2  - Journal of Computer-Aided Molecular Design
AB  - Four new potential agents muscarinic (allosteric modulators) were synthesized and studied by using the B3LYP density functional method. The optimum conformation and geometry structure of these compounds were determined and analyzed. Solvent effects...
LA  - eng
M2  - 145
PB  - Springer
KW  - Bispyridinium salts
KW  - W84
KW  - DUO-3O
KW  - Geometry optimization
KW  - Hydration
KW  - DFT
TI  - DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O
TY  - journal article
VL  - 25
ER  -