Published June 30, 2026
| Version v1
Dataset
Open
SurfPotDB — surface electrostatics — file shard 0189
Authors/Creators
- 1. Concept Lab, Fondazione Istituto Italiano di Tecnologia, via Morego 30, 16163 Genoa, Italy; MOX Laboratory, Department of Mathematics, Politecnico di Milano, Piazza Leonardo Da Vinci, 32, Milano 20133, Italy
- 2. Ph.D. Program in Physics, The Graduate Center, City University of New York, New York, NY 10016, USA; Department of Physics, City College of New York, New York, NY 10031, USA
- 3. Concept Lab, Fondazione Istituto Italiano di Tecnologia, via Morego 30, 16163 Genoa, Italy
Description
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/
Searchable web interface: https://vdiflorio.github.io/surfpotdb/
Files
Files
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