Ensemble generation and the influence of protein flexibility on geometric tunnel prediction in cytochrome P450 enzymes.

by Laura J Kingsley, Markus A Lill
Published 2014-01-01

Instantaneous generation of protein hydration properties from static structures

by Ahmadreza Ghanbarpour, Amr H. Mahmoud, Markus A. Lill
Published 2020-12-01

Flexibility of PCNA-protein interface accommodates differential binding partners.

by Anthony M Pedley, Markus A Lill, V Jo Davisson
Published 2014-01-01

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

by André Fischer, Manuel Sellner, Santhosh Neranjan, Martin Smieško, Markus A. Lill
Published 2020-05-01

Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2

by André Fischer, Manuel Sellner, Karolina Mitusińska, Maria Bzówka, Markus A. Lill, Artur Góra, Martin Smieško
Published 2021-02-01

Challenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXR.

by Sean Ekins, Sandhya Kortagere, Manisha Iyer, Erica J Reschly, Markus A Lill, Matthew R Redinbo, Matthew D Krasowski
Published 2009-12-01

Confined Mobility of TonB and FepA in Escherichia coli Membranes.

by Yoriko Lill, Lorne D Jordan, Chuck R Smallwood, Salete M Newton, Markus A Lill, Phillip E Klebba, Ken Ritchie
Published 2016-01-01