default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDMarkus A. Lill
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
Journal Articles
- 2023
[j24]Manuel S. Sellner, Amr H. Mahmoud, Markus A. Lill
:
Efficient virtual high-content screening using a distance-aware transformer model. J. Cheminformatics 15(1): 18 (2023)- [j23]Matthew R. Masters, Amr H. Mahmoud, Yao Wei, Markus A. Lill:
Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility. J. Chem. Inf. Model. 63(6): 1695-1707 (2023) - [j22]Florian B. Hinz, Amr H. Mahmoud, Markus A. Lill:
Prediction of molecular field points using SE(3)-transformer model. Mach. Learn. Sci. Technol. 4(3): 35016 (2023) - 2022
- [j21]Amr H. Mahmoud, Matthew Masters, Soo Jung Lee, Markus A. Lill:
Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation. J. Chem. Inf. Model. 62(7): 1602-1617 (2022) - 2021
- [j20]André Fischer, Florian Häuptli, Markus A. Lill, Martin Smiesko:
Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds. J. Chem. Inf. Model. 61(2): 1001-1009 (2021) - [j19]André Fischer, Gabriela Frehner, Markus A. Lill, Martin Smiesko:
Conformational Changes of Thyroid Receptors in Response to Antagonists. J. Chem. Inf. Model. 61(2): 1010-1019 (2021) - 2019
- [j18]Ying Yang, Amr H. Mahmoud, Markus A. Lill:
Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations. J. Chem. Inf. Model. 59(1): 38-42 (2019) - 2018
- [j17]Matthew R. Masters, Amr H. Mahmoud, Ying Yang, Markus A. Lill:
Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites. J. Chem. Inf. Model. 58(11): 2183-2188 (2018) - 2017
- [j16]Neha Rana, Jason M. Conley, Monica Soto-Velasquez, Francisco León, Stephen J. Cutler, Val J. Watts, Markus A. Lill:
Molecular Modeling Evaluation of the Enantiomers of a Novel Adenylyl Cyclase 2 Inhibitor. J. Chem. Inf. Model. 57(2): 322-334 (2017) - 2016
- [j15]Laura J. Kingsley, Juan Esquivel-Rodríguez, Ying Yang, Daisuke Kihara, Markus A. Lill:
Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations. J. Comput. Chem. 37(20): 1861-1865 (2016) - 2014
- [j14]Hamed Tabatabaei Ghomi, Jared J. Thompson, Markus A. Lill:
Are distance-dependent statistical potentials considering three interacting bodies superior to two-body statistical potentials for protein structure prediction? J. Bioinform. Comput. Biol. 12(5) (2014) - [j13]Bingjie Hu, Markus A. Lill:
WATsite: Hydration site prediction program with PyMOL interface. J. Comput. Chem. 35(16): 1255-1260 (2014) - [j12]Laura J. Kingsley, Markus A. Lill:
Including ligand-induced protein flexibility into protein tunnel prediction. J. Comput. Chem. 35(24): 1748-1756 (2014) - [j11]Bingjie Hu, Markus A. Lill:
PharmDock: a pharmacophore-based docking program. J. Cheminformatics 6(1): 14 (2014) - [j10]Laura J. Kingsley, Markus A. Lill:
IterTunnel; a method for predicting and evaluating ligand EgressTunnels in proteins with buried active sites. J. Cheminformatics 6(S-1): 62 (2014) - [j9]Ying Yang, Bingjie Hu, Markus A. Lill:
Analysis of Factors Influencing Hydration Site Prediction Based on Molecular Dynamics Simulations. J. Chem. Inf. Model. 54(10): 2987-2995 (2014) - 2013
- [j8]Bingjie Hu, Markus A. Lill:
Exploring the Potential of Protein-Based Pharmacophore Models in Ligand Pose Prediction and Ranking. J. Chem. Inf. Model. 53(5): 1179-1190 (2013) - 2012
- [j7]Mengang Xu, Markus A. Lill:
Utilizing Experimental Data for Reducing Ensemble Size in Flexible-Protein Docking. J. Chem. Inf. Model. 52(1): 187-198 (2012) - [j6]Bingjie Hu, Markus A. Lill:
Protein Pharmacophore Selection Using Hydration-Site Analysis. J. Chem. Inf. Model. 52(4): 1046-1060 (2012) - 2011
- [j5]Markus A. Lill, Matthew L. Danielson:
Computer-aided drug design platform using PyMOL. J. Comput. Aided Mol. Des. 25(1): 13-19 (2011) - [j4]Mengang Xu, Markus A. Lill:
Significant Enhancement of Docking Sensitivity Using Implicit Ligand Sampling. J. Chem. Inf. Model. 51(3): 693-706 (2011) - [j3]Markus A. Lill, Jared J. Thompson:
Solvent Interaction Energy Calculations on Molecular Dynamics Trajectories: Increasing the Efficiency Using Systematic Frame Selection. J. Chem. Inf. Model. 51(10): 2680-2689 (2011) - 2009
- [j2]Sean Ekins, Sandhya Kortagere, Manisha Iyer, Erica J. Reschly, Markus A. Lill, Matthew R. Redinbo, Matthew D. Krasowski:
Challenges Predicting Ligand-Receptor Interactions of Promiscuous Proteins: The Nuclear Receptor PXR. PLoS Comput. Biol. 5(12) (2009) - 2006
- [j1]Markus A. Lill, Angelo Vedani:
Combining 4D Pharmacophore Generation and Multidimensional QSAR: Modeling Ligand Binding to the Bradykinin B2 Receptor. J. Chem. Inf. Model. 46(5): 2135-2145 (2006)
Conference and Workshop Papers
- 2024
- [c2]Justin Diamond, Markus A. Lill:
Neural SHAKE: Geometric Constraints in Graph Generative Models. ICANN (10) 2024: 43-57 - 2022
- [c1]Markus A. Lill, Martin Spann:
Influence of Assimilation Effects on Recommender Systems. ICIS 2022
Informal and Other Publications
- 2023
- [i4]Soo Jung Lee, Amr H. Mahmoud, Markus A. Lill:
Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation. CoRR abs/2302.11855 (2023) - [i3]Justin Diamond, Markus A. Lill:
Improving Protein-peptide Interface Predictions in the Low Data Regime. CoRR abs/2306.00557 (2023) - [i2]Justin Diamond, Markus A. Lill:
Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes. CoRR abs/2307.04493 (2023) - 2020
- [i1]Ahmadreza Ghanbarpour, Amr H. Mahmoud, Markus A. Lill:
On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning. CoRR abs/2001.02201 (2020)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-09-30 21:59 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
