homology structure Archives • Computer Modeling

Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies

Efflux pumps of the ATP-binding cassette transporters superfamily (ABC transporters) are frequently involved in the multidrug-resistance (MDR) phenomenon in cancer cells. Herein, we describe a new atomistic model for the MDR-related ABCG2 efflux pump, also named breast cancer resistance protein… Read more ›

Nov 14, 2017

Daniel J.V.A. dos Santos

ABC transporters, BCRP/ABCG2, Cancer, Multidrug resistance

ABC transporters, ABCG2, BCRP, Breast cancer resistance protein, Docking, Efflux Mechanism, Efflux Modulation Mechanisms, homology structure, MDR, Molecular dynamics, Multidrug resistance, Substrate-Binding Sites

Scientific Reports: ABCG2 homology structure

The manuscript titled Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies submitted for review to Scientific Reports exactly one month before the ABCG2 cryo-EM structure was deposited in Protein Data Bank was accepted, already revised… Read more ›

Nov 02, 2017

Daniel J.V.A. dos Santos

ABCG2, ATP, BCRP, Breast cancer resistance protein, homology structure, MDR, Molecular docking, Molecular dynamics, Multidrug resistance