Generation of Quantum Configurational Ensembles Using Approximate Potentials.

Morado, João; Mortenson, Paul N; Nissink, J Willem M; Verdonk, Marcel L; Ward, Richard A; Essex, Jonathan W; Skylaris, Chris-Kriton

Morado, João; Mortenson, Paul N; Nissink, J Willem M; Verdonk, Marcel L; Ward, Richard A; Essex, Jonathan W; Skylaris, Chris-Kriton.

Afiliación

Morado J; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
Mortenson PN; Astex Pharmaceuticals, 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, United Kingdom.
Nissink JWM; Medicinal Chemistry, Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.
Verdonk ML; Astex Pharmaceuticals, 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, United Kingdom.
Ward RA; Medicinal Chemistry, Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.
Essex JW; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
Skylaris CK; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.

J Chem Theory Comput ; 17(11): 7021-7042, 2021 Nov 09.

Article en En | MEDLINE | ID: mdl-34644088

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2021 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos

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