Markus A. Lill

Computational Theory and Mathematics · 2011–2013

A researcher in the Science corpus: 3 papers; trusts 10 researchers and is trusted by 19 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 28 citations into it; #2,411 of 12,182 by trust here, #5,239 by citations
• Molecular Biology — 28 citations into it; #2,516 of 17,773 by trust here, #12,465 by citations
• Materials Chemistry — 12 citations into it; #4,072 of 11,513 by trust here, #10,540 by citations

Whom Markus A. Lill trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Helen M. Berman
2. Daniel Seeliger
3. Alexey V. Onufriev
4. David A. Case
5. Garrett M. Morris
6. Rajarshi Guha
7. B. L. de Groot
8. Donald Bashford
9. Ruth Huey
10. Thomas E. Cheatham III

Who trusts Markus A. Lill overall

1. Tianyun Liu
2. Shuguang Yuan
3. L. Ferreira
4. Luca Pinzi
5. Russ B. Altman
6. H. C. Stephen Chan
7. Gregory Sliwoski
8. S. J. Macalino
9. Ricardo N Dos Santos
10. Zhenquan Hu

Papers from Markus A. Lill's perspective

Ordered by how strongly the researchers Markus A. Lill trusts endorse each paper. Same corpus, a different order for every researcher.

1. The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data
2. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
3. The Blue Obelisk—Interoperability in Chemical Informatics
4. The Amber biomolecular simulation programs
5. Exploring protein native states and large‐scale conformational changes with a modified generalized born model (Proteins: Structure, Function, and Bioinformatics)
6. Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space (Journal of Chemical Information and Modeling)
7. Ligand docking and binding site analysis with PyMOL and Autodock/Vina
8. Protein data bank
9. A semiempirical free energy force field with charge‐based desolvation (Journal of Computational Chemistry)
10. The Protein Data Bank.

Their papers

• Integrating structure-based and ligand-based approaches for computational drug design. (2011) — 150 citations
• Computer-aided drug design platform using PyMOL (2011) — 582 citations
• Induced fit docking, and the use of QM/MM methods in docking. (2013) — 47 citations