Kenno Vanommeslaeghe

Molecular Biology · 2009–2017

A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 3 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 63 citations into it; #4,495 of 17,773 by trust here, #4,078 by citations
• Atomic and Molecular Physics, and Optics — 40 citations into it; #4,728 of 7,135 by trust here, #2,213 by citations
• Materials Chemistry — 33 citations into it; #4,143 of 11,513 by trust here, #7,964 by citations

Whom Kenno Vanommeslaeghe trusts overall

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

1. Alexander D. MacKerell
2. Junmei Wang
3. W. L. Jorgensen
4. Olgun Guvench

Who trusts Kenno Vanommeslaeghe overall

1. Justin A. Lemkul
2. Wenbo Yu
3. Alexander D. MacKerell
4. A. W. Sousa da Silva
5. Lim Heo
6. Leela S. Dodda
7. Denvid Lau
8. Tong Li
9. Chayan Acharya
10. Theodora Katsila

Papers from Kenno Vanommeslaeghe's perspective

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

1. Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing (Journal of Chemical Information and Modeling)
2. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)
3. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197
4. Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations (Journal of Computational Chemistry)
5. Proteins: Structures and Molecular Properties
6. CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
7. Recent advances in structure-based rational drug design.
8. Free energy calculations : theory and applications in chemistry and biology
9. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
10. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.

Their papers

• CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields (2009) — 6,664 citations
• Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing (2012) — 1,912 citations
• Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges (2012) — 1,579 citations
• Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations (2012) — 825 citations
• CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling (2011) — 645 citations
• The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions. (2017) — 109 citations