Hezekiel M. Kumalo

Computational Theory and Mathematics · 2015

A researcher in the Science corpus: 1 paper; trusts 1 researcher and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 12 citations into it
• Molecular Biology — 12 citations into it
• Computational Chemistry & Drug Discovery — 5 citations into it

Whom Hezekiel M. Kumalo trusts overall

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

1. Matthias Rarey
2. Arthur J. Olson
3. Garrett M. Morris
4. Elizabeth Yuriev
5. Yves Pommier
6. Bernd Kramer
7. Peter Willett
8. Marcel L. Verdonk
9. Ruth Huey

Papers from Hezekiel M. Kumalo's perspective

Ordered by how strongly the researchers Hezekiel M. Kumalo trusts endorse each paper. Same corpus, a different order for every researcher.

1. Diverse, high-quality test set for the validation of protein-ligand docking performance.
2. A fast flexible docking method using an incremental construction algorithm.
3. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
4. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
5. Development and validation of a genetic algorithm for flexible docking.
6. Virtual Screening with AutoDock: Theory and Practice (Expert Opinion on Drug Discovery)
7. Challenges and advances in computational docking: 2009 in review
8. The T790M mutation in EGFR kinase causes drug resistance by increasing the affinity for ATP (Proceedings of the National Academy of Sciences of the United States of America)
9. The resurgence of covalent drugs
10. Drugging Topoisomerases: Lessons and Challenges (ACS Chemical Biology)

Their papers

• Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls (2015) — 146 citations