Lill MA[au] - Search Results

Year	Number of Results
2002	1
2003	1
2004	2
2005	7
2006	4
2007	4
2008	1
2009	2
2010	2
2011	11
2012	6
2013	5
2014	9
2015	3
2016	4
2017	2
2018	6
2019	5
2020	3
2021	5
2022	3
2023	3
2024	0

1

Ligand pathways in estrogen-related receptors.

Fischer A, Bardakci F, Sellner M, Lill MA, Smieško M. Fischer A, et al. Among authors: lill ma. J Biomol Struct Dyn. 2023 Mar;41(5):1639-1648. doi: 10.1080/07391102.2022.2027818. Epub 2022 Jan 24. J Biomol Struct Dyn. 2023. PMID: 35068382

2

Substrate tunnels in enzymes: structure-function relationships and computational methodology.

Kingsley LJ, Lill MA. Kingsley LJ, et al. Among authors: lill ma. Proteins. 2015 Apr;83(4):599-611. doi: 10.1002/prot.24772. Epub 2015 Feb 28. Proteins. 2015. PMID: 25663659 Free PMC article. Review.

3

Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results.

Fischer A, Smieško M, Sellner M, Lill MA. Fischer A, et al. Among authors: lill ma. J Med Chem. 2021 Mar 11;64(5):2489-2500. doi: 10.1021/acs.jmedchem.0c02227. Epub 2021 Feb 22. J Med Chem. 2021. PMID: 33617246 Review.

4

Integrating structure-based and ligand-based approaches for computational drug design.

Wilson GL, Lill MA. Wilson GL, et al. Among authors: lill ma. Future Med Chem. 2011 Apr;3(6):735-50. doi: 10.4155/fmc.11.18. Future Med Chem. 2011. PMID: 21554079 Review.

5

The challenge of predicting drug toxicity in silico.

Vedani A, Dobler M, Lill MA. Vedani A, et al. Among authors: lill ma. Basic Clin Pharmacol Toxicol. 2006 Sep;99(3):195-208. doi: 10.1111/j.1742-7843.2006.pto_471.x. Basic Clin Pharmacol Toxicol. 2006. PMID: 16930291 Free article. Review.

6

Multi-dimensional QSAR in drug discovery.

Lill MA. Lill MA. Drug Discov Today. 2007 Dec;12(23-24):1013-7. doi: 10.1016/j.drudis.2007.08.004. Epub 2007 Sep 19. Drug Discov Today. 2007. PMID: 18061879 Review.

7

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

Fischer A, Sellner M, Mitusińska K, Bzówka M, Lill MA, Góra A, Smieško M. Fischer A, et al. Among authors: lill ma. Int J Mol Sci. 2021 Feb 19;22(4):2065. doi: 10.3390/ijms22042065. Int J Mol Sci. 2021. PMID: 33669738 Free PMC article.

8

Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility.

Masters MR, Mahmoud AH, Wei Y, Lill MA. Masters MR, et al. Among authors: lill ma. J Chem Inf Model. 2023 Mar 27;63(6):1695-1707. doi: 10.1021/acs.jcim.2c01436. Epub 2023 Mar 14. J Chem Inf Model. 2023. PMID: 36916514

9

Calculation of Thermodynamic Properties of Bound Water Molecules.

Yang Y, Abdallah AHA, Lill MA. Yang Y, et al. Among authors: lill ma. Methods Mol Biol. 2018;1762:389-402. doi: 10.1007/978-1-4939-7756-7_19. Methods Mol Biol. 2018. PMID: 29594782

10

Induced fit docking, and the use of QM/MM methods in docking.

Xu M, Lill MA. Xu M, et al. Among authors: lill ma. Drug Discov Today Technol. 2013 Sep;10(3):e411-8. doi: 10.1016/j.ddtec.2013.02.003. Drug Discov Today Technol. 2013. PMID: 24050138 Free PMC article. Review.

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