28 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Sanford Burnham Prebys Medical Discovery InstituteUS2 papers
- Center for Integrated NanotechnologiesUS1 paper
- Center for Theoretical Biological PhysicsUS1 paper
- German Research Centre for Artificial IntelligenceDE1 paper
- Hong Kong Polytechnic UniversityHK1 paper
- Johns Hopkins UniversityUS1 paper
- Los Alamos National LaboratoryUS1 paper
- Monash UniversityAU1 paper
- Northern Arizona UniversityUS1 paper
- Rice UniversityUS1 paper
- Sandia National LaboratoriesUS1 paper
- Shihezi UniversityCN1 paper
Showing 2020Show all
2 papers · 1 filter
q-bio.BM2020★ 12 cited
Determining the atomic charge of calcium ion requires the information of its coordination geometry in an EF-hand motif
Pengzhi Zhang, Jaebeom Han, Piotr Cieplak +1
It is challenging to parameterize the force field for calcium ions (Ca2+) in calcium-binding proteins because of their unique coordination chemistry that involves the surrounding a…
physics.comp-ph2020★ 28 cited
Efficient Formulation of Polarizable Gaussian Multipole Electrostatics for Biomolecular Simulations
Haixin Wei, Ruxi Qi, Junmei Wang +3
Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applicat…