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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1979 1
1980 1
1984 1
1985 1
1987 1
1990 1
1991 1
1994 3
1996 1
1997 3
1998 4
1999 2
2000 2
2002 4
2003 4
2005 4
2006 2
2007 1
2008 2
2009 7
2010 4
2011 6
2012 8
2013 12
2014 9
2015 15
2016 13
2017 18
2018 22
2019 46
2020 26
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Similar Articles for PMID: 29486559

208 results
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Page 1
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo.
Gill SC, Lim NM, Grinaway PB, Rustenburg AS, Fass J, Ross GA, Chodera JD, Mobley DL. Gill SC, et al. J Phys Chem B. 2018 May 31;122(21):5579-5598. doi: 10.1021/acs.jpcb.7b11820. Epub 2018 Mar 12. J Phys Chem B. 2018. PMID: 29486559 Free PMC article.
Grand canonical Monte Carlo simulation of ligand-protein binding.
Clark M, Guarnieri F, Shkurko I, Wiseman J. Clark M, et al. J Chem Inf Model. 2006 Jan-Feb;46(1):231-42. doi: 10.1021/ci050268f. J Chem Inf Model. 2006. PMID: 16426059
Protein-ligand binding free energies from exhaustive docking.
Purisima EO, Hogues H. Purisima EO, et al. J Phys Chem B. 2012 Jun 14;116(23):6872-9. doi: 10.1021/jp212646s. Epub 2012 Apr 2. J Phys Chem B. 2012. PMID: 22432509
Perspective: Alchemical free energy calculations for drug discovery.
Mobley DL, Klimovich PV. Mobley DL, et al. J Chem Phys. 2012 Dec 21;137(23):230901. doi: 10.1063/1.4769292. J Chem Phys. 2012. PMID: 23267463 Free PMC article.
Enhanced ligand sampling for relative protein-ligand binding free energy calculations.
Kaus JW, McCammon JA. Kaus JW, et al. J Phys Chem B. 2015 May 21;119(20):6190-7. doi: 10.1021/acs.jpcb.5b02348. Epub 2015 May 8. J Phys Chem B. 2015. PMID: 25906170 Free PMC article.
Computing the binding affinity of a ligand buried deep inside a protein with the hybrid steered molecular dynamics.
Villarreal OD, Yu L, Rodriguez RA, Chen LY. Villarreal OD, et al. Biochem Biophys Res Commun. 2017 Jan 29;483(1):203-208. doi: 10.1016/j.bbrc.2016.12.165. Epub 2016 Dec 26. Biochem Biophys Res Commun. 2017. PMID: 28034750 Free PMC article.
Sensitivity in Binding Free Energies Due to Protein Reorganization.
Lim NM, Wang L, Abel R, Mobley DL. Lim NM, et al. J Chem Theory Comput. 2016 Sep 13;12(9):4620-31. doi: 10.1021/acs.jctc.6b00532. Epub 2016 Aug 16. J Chem Theory Comput. 2016. PMID: 27462935 Free PMC article.
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding.
Cabeza de Vaca I, Qian Y, Vilseck JZ, Tirado-Rives J, Jorgensen WL. Cabeza de Vaca I, et al. J Chem Theory Comput. 2018 Jun 12;14(6):3279-3288. doi: 10.1021/acs.jctc.8b00031. Epub 2018 May 8. J Chem Theory Comput. 2018. PMID: 29708338 Free PMC article.
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