Evaluating Molecular Docking Software for Small Molecule Binding to G-Quadruplex DNA.

Dickerhoff, Jonathan; Warnecke, Kassandra R; Wang, Kaibo; Deng, Nanjie; Yang, Danzhou

Dickerhoff, Jonathan; Warnecke, Kassandra R; Wang, Kaibo; Deng, Nanjie; Yang, Danzhou.

Affiliation

Dickerhoff J; Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, 575 W Stadium Ave, West Lafayette, IN 47907, USA.
Warnecke KR; Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, 575 W Stadium Ave, West Lafayette, IN 47907, USA.
Wang K; Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, 575 W Stadium Ave, West Lafayette, IN 47907, USA.
Deng N; Department of Chemistry and Physical Sciences, Pace University, 1 Pace Plaza, New York, NY 10038, USA.
Yang D; Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, 575 W Stadium Ave, West Lafayette, IN 47907, USA.

Int J Mol Sci ; 22(19)2021 Oct 06.

Article de En | MEDLINE | ID: mdl-34639142

Sujet(s)
Mots clés

G-quadruplex; G4-ligands; docking; drug design; pose prediction; scoring

Texte intégral

Ajouter à My VHL

Imprimer

XML

PubMed Links

Recherche sur Google

Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Logiciel / ADN / Protéines proto-oncogènes c-myc / Bibliothèques de petites molécules / G-quadruplexes / Simulation de docking moléculaire Type d'étude: Evaluation_studies / Prognostic_studies Limites: Humans Langue: En Journal: Int J Mol Sci Année: 2021 Type de document: Article Pays d'affiliation: États-Unis d'Amérique Pays de publication: Suisse

Texte intégral

Ajouter à My VHL

Imprimer

XML

PubMed Links

Recherche sur Google