Input data for use cases of TransportTools
收藏NIAID Data Ecosystem2026-03-13 收录
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资源简介：
Use case I: Disclosing rare transient tunnels and their usage by water molecules in 15 simulations of DhaA dehalogenase tunnel data water traces data configuration file for TransportTools Use case II: Understanding the effect of mutations by contrasting simulations of three different variants of LinB dehalogenase tunnel data water traces data molecular dynamics simulations with relevant water molecules only configuration file for TransportTools Use Case III: Inferring selectivity of transport pathways in LinB86 dehalogenase for a substrate molecule from almost 600 simulations tunnel data substrate traces data configuration file for TransportTools
创建时间：
2021-11-04
