Jocelyn Sunseri

Computational Theory and Mathematics · 2016–2021

A researcher in the Science corpus: 5 papers; trusts 10 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 58 citations into it
• Molecular Biology — 48 citations into it
• Computational Chemistry & Drug Discovery — 40 citations into it
• Materials Chemistry — 26 citations into it
• Evaluation & Benchmarks — 7 citations into it

Whom Jocelyn Sunseri trusts overall

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

1. David Ryan Koes
2. Renxiao Wang
3. Michael M. Mysinger
4. Anthony Nicholls
5. Dina Schneidman-Duhovny
6. Arthur J. Olson
7. John J. Irwin
8. Carlos J. Camacho
9. Michael Carchia
10. Brian K. Shoichet

Who trusts Jocelyn Sunseri overall

1. Tomohide Masuda
2. Hannes Stärk
3. Shitong Luo

Papers from Jocelyn Sunseri's perspective

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

1. Comparison of shape-matching and docking as virtual screening tools.
2. ChEMBL: a large-scale bioactivity database for drug discovery
3. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
4. PharmaGist: a webserver for ligand-based pharmacophore detection
5. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
6. Molecular Shape and Medicinal Chemistry: A Perspective
7. Automated Docking Screens: A Feasibility Study
8. ZINCPharmer: pharmacophore search of the ZINC database
9. Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design
10. PubChem Substance and Compound databases

Their papers

• Protein-Ligand Scoring with Convolutional Neural Networks (2016) — 313 citations
• GNINA 1.0: molecular docking with deep learning (2021) — 765 citations
• Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design (2020) — 242 citations
• Protein-Ligand Scoring with Convolutional Neural Networks (2017) — 465 citations
• Pharmit: interactive exploration of chemical space (2016) — 363 citations