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Title
Recent Developments in Free Energy Calculations for Drug Discovery
Authors
Keywords
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Journal
Frontiers in Molecular Biosciences
Volume 8, Issue -, Pages -
Publisher
Frontiers Media SA
Online
2021-08-11
DOI
10.3389/fmolb.2021.712085
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- Exploring a coarse-grained distributive strategy for finite-difference Poisson–Boltzmann calculations
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- Achieving energy conservation in Poisson–Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms
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