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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2014 | 2 |
2015 | 2 |
2016 | 1 |
2024 | 0 |
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Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study.
J Phys Chem B. 2016 Jun 23;120(24):5340-50. doi: 10.1021/acs.jpcb.6b03296. Epub 2016 Jun 14.
J Phys Chem B. 2016.
PMID: 27248478
FESetup: Automating Setup for Alchemical Free Energy Simulations.
Loeffler HH, Michel J, Woods C.
Loeffler HH, et al.
J Chem Inf Model. 2015 Dec 28;55(12):2485-90. doi: 10.1021/acs.jcim.5b00368. Epub 2015 Nov 13.
J Chem Inf Model. 2015.
PMID: 26544598
Free article.
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Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water.
Woods CJ, Malaisree M, Michel J, Long B, McIntosh-Smith S, Mulholland AJ.
Woods CJ, et al.
Faraday Discuss. 2014;169:477-99. doi: 10.1039/c3fd00125c. Epub 2014 May 27.
Faraday Discuss. 2014.
PMID: 25340314
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Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidase.
Woods CJ, Shaw KE, Mulholland AJ.
Woods CJ, et al.
J Phys Chem B. 2015 Jan 22;119(3):997-1001. doi: 10.1021/jp506413j. Epub 2014 Nov 7.
J Phys Chem B. 2015.
PMID: 25340313
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