Jeremy R. Greenwood

Materials Chemistry · 2006–2015

A researcher in the Science corpus: 6 papers; trusts 5 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 29 citations into it
• Atomic and Molecular Physics, and Optics — 23 citations into it
• Organic Chemistry — 15 citations into it
• Physical and Theoretical Chemistry — 13 citations into it

Whom Jeremy R. Greenwood trusts overall

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

1. Yan Zhao
2. James J. P. Stewart
3. Donald G. Truhlar
4. Julian Tirado-Rives
5. John C. Shelley
6. W. L. Jorgensen

Papers from Jeremy R. Greenwood's perspective

Ordered by how strongly the researchers Jeremy R. Greenwood trusts endorse each paper. Same corpus, a different order for every researcher.

1. Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions. (Journal of Chemical Theory and Computation)
2. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.
3. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
4. Novel procedure for modeling ligand/receptor induced fit effects.
5. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements (Journal of Molecular Modeling)
6. LigScore: a novel scoring function for predicting binding affinities.
7. Evaluation of docking performance: comparative data on docking algorithms. (Journal of Medicinal Chemistry)
8. Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules. (Journal of Chemical Theory and Computation)
9. Epik: a software program for pKa prediction and protonation state generation for drug-like molecules (J. Comput. Aided Mol. Des.)
10. Targeting cancer with small molecule kinase inhibitors (Nature Reviews. Cancer)

Their papers

• Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. (2006) — 6,349 citations
• Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field. (2015) — 1,186 citations
• Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences (2013) — 1,644 citations
• Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring (2014) — 426 citations
• Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution (2010) — 887 citations
• Epik: a software program for pKa prediction and protonation state generation for drug-like molecules (2007) — 1,860 citations