Ecosyste.ms: Papers

An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.

Papers: 10.1111/j.1747-0285.2011.01101.x

https://doi.org/10.1111/j.1747-0285.2011.01101.x

Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand‐bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target

Cited by: 37
Author(s): William Sinko, César de Oliveira, S. Williams, Adam Van Wynsberghe, Jacob D. Durrant, Rong Cao, Eric Oldfield, J. Andrew McCammon
Published: over 13 years ago

Software Mentions 4

cran: GLIDE
Global and Individual Tests for Direct Effects
Papers that mentioned: 239
pypi: gromacs
GROMACS bindings package
Papers that mentioned: 79
pypi: povme
POVME (Pocket VOlume MEasurer) is a Python package for extracting actionable information from ensembles of protein structures for use in drug design.
Papers that mentioned: 1
pypi: propka
Heuristic pKa calculations with ligands
Papers that mentioned: 15