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Tomocomd-Cardd, a novel approach for computer-aided ? rational? drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds

Yovani Marrero‐PonceDepartment of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara 54830, Villa Clara, Cuba. [email protected]Juan A. Castillo‐GaritApplied Chemistry Research Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaErvelio OlazábalDepartment of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaHector S. SerranoDepartment of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaAlcidez MoralesDepartment of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaNilo Casta�edoDepartment of Drug Design, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaFroyl�n Ibarra-VelardeDepartment of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510Alma Huesca‐GuillénDepartment of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510Elisa JorgeDepartment of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaArletys del ValleDepartment of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, CubaFrancisco TorrensInstitut Universitari de Ciència Molecular, Universitat de València, Dr. Moliner 50, E-46100, Burjassot (València), SpainEduardo CastroINIFTA, División Química Teórica, Suc.4, C.C.16, La Plata, 1900, Buenos Aires, Argentina
2004en
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