Molecular dynamics simulations PksD AH

Name: Molecular dynamics simulations PksD AH
Keywords: hydrolysis, polyketide synthase, MD, trans-AT PKS, accelerated MD, molecular dynamics simulations, PKS, AMBER, natural products biosynthesis

Lewandowski, Józef R.; Tatman, Ben P.

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Dataset . 2023

Data sources: Datacite

ZENODO

Dataset . 2023

Data sources: Datacite

Molecular dynamics simulations PksD AH

Research datakeyboard_double_arrow_right Dataset 20 Feb 2023Publisher:Zenodo

Authors: Lewandowski, Józef R.; Tatman, Ben P.;

doi: 10.5281/zenodo.7657415 , 10.5281/zenodo.7857334

Molecular dynamics simulations PksD AH

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Abstract

This data set includes topology files, trajectories and force field parameters for non-standard residues for the molecular dynamics simulations discussed in an accompanying manuscript "Basis for controlled acyl chain hydrolysis in trans-AT polyketide synthases"

Related Organizations

University of Warwick
United Kingdom

Keywords

hydrolysis, polyketide synthase, MD, trans-AT PKS, accelerated MD, molecular dynamics simulations, PKS, AMBER, natural products biosynthesis

1 Research products, page 1 of 1

Molecular dynamics simulations PksD AH
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