Gregory A. Ross

Computational Theory and Mathematics · 2012–2021

A researcher in the Science corpus: 2 papers; trusts 6 researchers and is trusted by 3 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 8 citations into it; #9,693 of 12,182 by trust here, #8,756 by citations
• Molecular Biology — 8 citations into it; #12,084 of 17,773 by trust here, #15,531 by citations
• Materials Chemistry — 6 citations into it; #7,575 of 11,513 by trust here, #10,540 by citations
• Computational Chemistry & Drug Discovery — 5 citations into it

Whom Gregory A. Ross trusts overall

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

1. Marcel L. Verdonk
2. Jason C. Cole
3. Arthur J. Olson
4. Helen M. Berman
5. Julian Tirado-Rives
6. Robin Taylor

Who trusts Gregory A. Ross overall

1. Ryan E. Pavlovicz
2. Hahnbeom Park

Papers from Gregory A. Ross's perspective

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

1. SuperStar: a knowledge-based approach for identifying interaction sites in proteins.
2. The Protein Data Bank.
3. Diverse, high-quality test set for the validation of protein-ligand docking performance.
4. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
5. Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization.
6. Modeling water molecules in protein-ligand docking using GOLD. (Journal of Medicinal Chemistry)
7. Prediction of water and metal binding sites and their affinities by using the Fold-X force field.
8. Role of the active-site solvent in the thermodynamics of factor Xa ligand binding. (Journal of the American Chemical Society)
9. The Cambridge Structural Database: a quarter of a million crystal structures and rising.
10. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.

Their papers

• Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites (2012) — 182 citations
• OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space. (2021) — 1,624 citations