Wenbo Yu

Molecular Biology · with MacKerell · 2012–2017

A researcher in the Science corpus: 2 papers; trusts 26 researchers and is trusted by 1 researcher here, as inferred from the citation graph.

Subfields

• Molecular Biology — 34 citations into it; #16,621 of 17,773 by trust here, #15,531 by citations
• Computational Theory and Mathematics — 16 citations into it
• Materials Chemistry — 13 citations into it
• Atomic and Molecular Physics, and Optics — 10 citations into it; #6,602 of 7,135 by trust here, #6,450 by citations
• Computational Chemistry & Drug Discovery — 8 citations into it
• Spectroscopy — 7 citations into it
• Organic Chemistry — 5 citations into it

Whom Wenbo Yu trusts overall

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

1. Kenno Vanommeslaeghe
2. Alexander D. MacKerell
3. W. L. Jorgensen
4. Junmei Wang
5. Christophe Chipot
6. Michael R. Shirts
7. Andrej Sali
8. Gisbert Schneider
9. Robert P. Sheridan
10. David A. Case

Who trusts Wenbo Yu overall

1. Alexander D. MacKerell

Papers from Wenbo Yu's perspective

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

1. VMD: visual molecular dynamics.
2. Automatic atom type and bond type perception in molecular mechanical calculations. (Journal of Molecular Graphics and Modelling)
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. CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
5. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
6. Open Babel: An open chemical toolbox
7. CHARMM‐GUI: A web‐based graphical user interface for CHARMM
8. The Protein Data Bank: a computer-based archival file for macromolecular structures.
9. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
10. Reoptimization of MDL Keys for Use in Drug Discovery

Their papers

• Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations (2012) — 825 citations
• Computer-Aided Drug Design Methods (2017) — 383 citations