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

Year Number of Results
1984 1
1985 1
1986 18
1992 1
1993 1
1996 11
2001 12
2002 164
2003 201
2004 198
2005 169
2006 179
2007 253
2008 267
2009 261
2010 380
2011 412
2012 356
2013 325
2014 271
2015 319
2016 311
2017 340
2018 345
2019 341
2020 183
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Search Results

4,600 results
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Page 1
Editorial.
Mo Y, Wu W, Cao Z. Mo Y, et al. J Comput Chem. 2019 Apr 5;40(9):965. doi: 10.1002/jcc.25794. J Comput Chem. 2019. PMID: 30820983 No abstract available.
RMSD and Symmetry.
Coutsias EA, Wester MJ. Coutsias EA, et al. J Comput Chem. 2019 Jun 5;40(15):1496-1508. doi: 10.1002/jcc.25802. Epub 2019 Mar 3. J Comput Chem. 2019. PMID: 30828834
Implementing dimer metadynamics using gromacs.
Nava M. Nava M. J Comput Chem. 2018 Sep 30;39(25):2126-2132. doi: 10.1002/jcc.25386. Epub 2018 Oct 11. J Comput Chem. 2018. PMID: 30306568
MB-Isoster: A software for bioisosterism simulation.
Elias TC, de Oliveira HCB, da Silveira NJF. Elias TC, et al. J Comput Chem. 2018 Nov 5;39(29):2481-2487. doi: 10.1002/jcc.25581. Epub 2018 Oct 14. J Comput Chem. 2018. PMID: 30318630
CHARMM force field for protonated polyethyleneimine.
Beu TA, Ailenei AE, FarcaƟ A. Beu TA, et al. J Comput Chem. 2018 Dec 5;39(31):2564-2575. doi: 10.1002/jcc.25637. Epub 2018 Oct 26. J Comput Chem. 2018. PMID: 30365171
stk: A python toolkit for supramolecular assembly.
Turcani L, Berardo E, Jelfs KE. Turcani L, et al. J Comput Chem. 2018 Sep 5;39(23):1931-1942. doi: 10.1002/jcc.25377. J Comput Chem. 2018. PMID: 30247770 Free PMC article.
MDockPeP: An ab-initio protein-peptide docking server.
Xu X, Yan C, Zou X. Xu X, et al. J Comput Chem. 2018 Oct 30;39(28):2409-2413. doi: 10.1002/jcc.25555. Epub 2018 Oct 23. J Comput Chem. 2018. PMID: 30368849 Free PMC article.
Isothiirane: A Molecular Structure Dilemma Resolved.
Maley SM, Mawhinney RC. Maley SM, et al. J Comput Chem. 2019 Mar 30;40(8):916-924. doi: 10.1002/jcc.25758. Epub 2018 Dec 23. J Comput Chem. 2019. PMID: 30582185
QM/MM study of the taxadiene synthase mechanism.
van Rijn JPM, Escorcia AM, Thiel W. van Rijn JPM, et al. J Comput Chem. 2019 Aug 5;40(21):1902-1910. doi: 10.1002/jcc.25846. Epub 2019 May 6. J Comput Chem. 2019. PMID: 31062376
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