Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structure input. Raschka et al. (2018) J. Computer-Aided Molec. Design
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Nov 6, 2019 - C
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hydrogen-bonds
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Tools for generating hydrogen-bond interaction visualizations from Hbind
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Feb 6, 2018 - Python
Program to calculate hydrogen bond interactions in MD simulations in Gromacs 5.x or higher, for any system, independent of the Atomistic Force-filed used.
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Aug 3, 2021 - Python
HBondAuto is a program developed to calculate and automate the hydrogen bond analysis in Molecular Dynamics Simulations.
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Jan 9, 2023 - Python
A set of programs to study hydrogen bond cycles
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Nov 11, 2022 - Python
juProt: A Julia-based web application for rapid comparative analysis of protein-ligand interactions, initially focusing on H-bonds. Live app: juprot.info
open-source bioinformatics structural-biology julia drug-discovery protein-ligand-interactions comparative-analysis hydrogen-bonds plip
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Dec 29, 2025 - Julia
Calculate protein structure properties
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Nov 19, 2025 - Python
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