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Application of the ESMACS Binding Free Energy Protocol to a..:
Wright, DW
;
Husseini, F
;
Wan, S
...
https://discovery.ucl.ac.uk/id/eprint/10086549/1/Wright_et_al-2019-Advanced_Theory_and_Simulations.pdf. , 2019
Link:
https://discovery.ucl.ac.uk/id/eprint/10086549/1/Wrigh..
RT Journal T1 <Title>Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftucl:oai:eprints.ucl.ac.uk.OAI2:10086549&Exemplar=1&LAN=DE A1 Wright, DW A1 Husseini, F A1 Wan, S A1 Meyer, C A1 van Vlijmen, H A1 Tresadern, G A1 Coveney, PV PB Wiley YR 2019 K1 binding free energy calculations K1 fragment‐based drug design K1 molecular dynamics K1 molecular mechanics Poisson–Boltzmann surface area (MMPBSA) JF https://discovery.ucl.ac.uk/id/eprint/10086549/1/Wright_et_al-2019-Advanced_Theory_and_Simulations.pdf LK http://dx.doi.org/https://discovery.ucl.ac.uk/id/eprint/10086549/1/Wright_et_al-2019-Advanced_Theory_and_Simulations.pdf DO https://discovery.ucl.ac.uk/id/eprint/10086549/1/Wright_et_al-2019-Advanced_Theory_and_Simulations.pdf SF ELIB - SuUB Bremen
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