SurfPotDB — surface electrostatics — file shard 0189
SurfPotDB — surface electrostatics — file shard 0189
This record is a storage shard of SurfPotDB, a database of molecular surface electrostatic potentials computed with NextGenPB (continuum Poisson-Boltzmann) on structures from the Protein Data Bank. It holds the per-structure files for a subset of the database: surface electrostatic-potential meshes (.vtp, the potential on the molecular surface, enriched with normals and the polarization charge q_pol) and the matching protonated structures with MCCE atomic charges and radii (.pqr). This is storage shard 0189; individual files are addressed by index.csv in the SurfPotDB landing record. For the full dataset description, scope and citation, see the SurfPotDB landing record.Searchable web interface: https://vdiflorio.github.io/surfpotdb/
- King’s University United States
- City College of New York United States
- Italian Institute of Technology Italy
- Polytechnic University of Milan Italy
- City University of New York United States
PDB, Poisson-Boltzmann, protein surface, NextGenPB, electrostatics, database
PDB, Poisson-Boltzmann, protein surface, NextGenPB, electrostatics, database
selected citations These citations are derived from selected sources.This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).0 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Average influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Average impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Average
Citations provided by BIP!Popularity provided by BIP!