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

Year Number of Results
1991 2
1992 1
1993 3
1995 3
1996 1
1997 1
1998 1
1999 3
2000 2
2002 5
2003 3
2004 3
2005 3
2006 4
2007 8
2008 8
2009 5
2010 13
2011 7
2012 3
2013 6
2014 7
2015 7
2016 13
2017 16
2018 12
2019 13
2020 9
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142 results
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Page 1
Computational Design of Synthetic Enzymes.
Vaissier Welborn V, Head-Gordon T. Vaissier Welborn V, et al. Among authors: head gordon t. Chem Rev. 2019 Jun 12;119(11):6613-6630. doi: 10.1021/acs.chemrev.8b00399. Epub 2018 Oct 2. Chem Rev. 2019. PMID: 30277066 Free article. Review.
New developments in force fields for biomolecular simulations.
Nerenberg PS, Head-Gordon T. Nerenberg PS, et al. Among authors: head gordon t. Curr Opin Struct Biol. 2018 Apr;49:129-138. doi: 10.1016/ Epub 2018 Feb 22. Curr Opin Struct Biol. 2018. PMID: 29477047 Review.
Advanced Potential Energy Surfaces for Molecular Simulation.
Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao Y, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T. Albaugh A, et al. Among authors: head gordon t. J Phys Chem B. 2016 Sep 22;120(37):9811-32. doi: 10.1021/acs.jpcb.6b06414. J Phys Chem B. 2016. PMID: 27513316 Free article. Review.
Water is not a dynamic polydisperse branched polymer.
Head-Gordon T, Paesani F. Head-Gordon T, et al. Proc Natl Acad Sci U S A. 2019 Jul 2;116(27):13169-13170. doi: 10.1073/pnas.1902031116. Epub 2019 Jun 25. Proc Natl Acad Sci U S A. 2019. PMID: 31239338 Free PMC article. No abstract available.
The Quest for Accurate Liquid Water Properties from First Principles.
Ruiz Pestana L, Marsalek O, Markland TE, Head-Gordon T. Ruiz Pestana L, et al. Among authors: head gordon t. J Phys Chem Lett. 2018 Sep 6;9(17):5009-5016. doi: 10.1021/acs.jpclett.8b02400. Epub 2018 Aug 21. J Phys Chem Lett. 2018. PMID: 30118601 Free article.
Finding Our Way in the Dark Proteome.
Bhowmick A, Brookes DH, Yost SR, Dyson HJ, Forman-Kay JD, Gunter D, Head-Gordon M, Hura GL, Pande VS, Wemmer DE, Wright PE, Head-Gordon T. Bhowmick A, et al. Among authors: head gordon t. J Am Chem Soc. 2016 Aug 10;138(31):9730-42. doi: 10.1021/jacs.6b06543. Epub 2016 Jul 19. J Am Chem Soc. 2016. PMID: 27387657 Free PMC article.
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science.
Krylov A, Windus TL, Barnes T, Marin-Rimoldi E, Nash JA, Pritchard B, Smith DGA, Altarawy D, Saxe P, Clementi C, Crawford TD, Harrison RJ, Jha S, Pande VS, Head-Gordon T. Krylov A, et al. Among authors: head gordon t. J Chem Phys. 2018 Nov 14;149(18):180901. doi: 10.1063/1.5052551. J Chem Phys. 2018. PMID: 30441927
Inertial extended-Lagrangian scheme for solving charge equilibration models.
Leven I , Head-Gordon T . Leven I , et al. Among authors: head gordon t. Phys Chem Chem Phys. 2019 Aug 28;21(34):18652-18659. doi: 10.1039/c9cp02979f. Phys Chem Chem Phys. 2019. PMID: 31460521
Advanced potential energy surfaces for condensed phase simulation.
Demerdash O, Yap EH, Head-Gordon T. Demerdash O, et al. Among authors: head gordon t. Annu Rev Phys Chem. 2014;65:149-74. doi: 10.1146/annurev-physchem-040412-110040. Epub 2013 Dec 9. Annu Rev Phys Chem. 2014. PMID: 24328448 Review.
Diels-Alder Reactions in Water Are Determined by Microsolvation.
Pestana LR, Hao H, Head-Gordon T. Pestana LR, et al. Among authors: head gordon t. Nano Lett. 2020 Jan 8;20(1):606-611. doi: 10.1021/acs.nanolett.9b04369. Epub 2019 Dec 3. Nano Lett. 2020. PMID: 31771330
142 results
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