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Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo.
Suruzhon M, Bodnarchuk MS, Ciancetta A, Wall ID, Essex JW. Suruzhon M, et al. Among authors: essex jw. J Chem Theory Comput. 2022 Jun 14;18(6):3894-3910. doi: 10.1021/acs.jctc.1c01198. Epub 2022 May 19. J Chem Theory Comput. 2022. PMID: 35588256 Free PMC article.
A review of protein-small molecule docking methods.
Taylor RD, Jewsbury PJ, Essex JW. Taylor RD, et al. Among authors: essex jw. J Comput Aided Mol Des. 2002 Mar;16(3):151-66. doi: 10.1023/a:1020155510718. J Comput Aided Mol Des. 2002. PMID: 12363215 Review.
Classification of water molecules in protein binding sites.
Barillari C, Taylor J, Viner R, Essex JW. Barillari C, et al. Among authors: essex jw. J Am Chem Soc. 2007 Mar 7;129(9):2577-87. doi: 10.1021/ja066980q. Epub 2007 Feb 9. J Am Chem Soc. 2007. PMID: 17288418
112 results