ArticleComputational science & discovery2012
iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS).
Article in Computational science & discovery, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed.
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- Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.Nucleic acids research · 2023Article
- Protein Interactions inMolecules (Basel, Switzerland) · 2023Article
- Molecular Dynamics Simulations of HPr Proteins from a Thermophilic and a Mesophilic Organism: A Comparative Thermal Study.International journal of molecular sciences · 2023Article
- Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2.Journal of molecular liquids · 2023Article
- Exploring oxidative stress pathways inFrontiers in microbiology · 2023Article
- Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational Study.Inorganic chemistry · 2022Article
- Omicron-included mutation-induced changes in epitopes of SARS-CoV-2 spike protein and effectiveness assessments of current antibodies.Molecular biomedicine · 2022Article
- WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches.ACS omega · 2021Article
- Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface.Computational biology and chemistry · 2020Article
- Searching Hit Potential Antimicrobials in Natural Compounds Space against Biofilm Formation.Molecules (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The Adaptive Poisson-Boltzmann Solver (APBS) is a state-of-the-art suite for performing Poisson-Boltzmann electrostatic calculations on biomolecules. The iAPBS package provides a modular programmatic interface to the APBS library of electrostatic calculation routines. The iAPBS interface library can be linked with a FORTRAN or C/C++ program thus making all of the APBS functionality available from within the application. Several application modules for popular molecular dynamics simulation packages - Amber, NAMD and CHARMM are distributed with iAPBS allowing users of these packages to perform implicit solvent electrostatic calculations with APBS.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.