guvench o - Search Results

Year	Number of Results
2002	1
2004	1
2005	2
2006	1
2007	1
2008	6
2009	5
2010	4
2011	6
2012	3
2013	3
2014	3
2015	4
2016	2
2017	1
2020	2
2021	0

1

Comparison of protein force fields for molecular dynamics simulations.

Guvench O, MacKerell AD Jr. Guvench O, et al. Methods Mol Biol. 2008;443:63-88. doi: 10.1007/978-1-59745-177-2_4. Methods Mol Biol. 2008. PMID: 18446282 Review.

2

Molecular mechanics.

Vanommeslaeghe K, Guvench O, MacKerell AD Jr. Vanommeslaeghe K, et al. Among authors: guvench o. Curr Pharm Des. 2014;20(20):3281-92. doi: 10.2174/13816128113199990600. Curr Pharm Des. 2014. PMID: 23947650 Free PMC article. Review.

3

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields.

Vanommeslaeghe K, Hatcher E, Acharya C, Kundu S, Zhong S, Shim J, Darian E, Guvench O, Lopes P, Vorobyov I, Mackerell AD Jr. Vanommeslaeghe K, et al. Among authors: guvench o. J Comput Chem. 2010 Mar;31(4):671-90. doi: 10.1002/jcc.21367. J Comput Chem. 2010. PMID: 19575467 Free PMC article.

4

Computational functional group mapping for drug discovery.

Guvench O. Guvench O. Drug Discov Today. 2016 Dec;21(12):1928-1931. doi: 10.1016/j.drudis.2016.06.030. Epub 2016 Jul 5. Drug Discov Today. 2016. PMID: 27393487 Free PMC article. Review.

5

Efficient Construction of Atomic-Resolution Models of Non-Sulfated Chondroitin Glycosaminoglycan Using Molecular Dynamics Data.

Whitmore EK, Vesenka G, Sihler H, Guvench O. Whitmore EK, et al. Among authors: guvench o. Biomolecules. 2020 Apr 2;10(4):537. doi: 10.3390/biom10040537. Biomolecules. 2020. PMID: 32252422 Free PMC article.

6

Constructing 3-Dimensional Atomic-Resolution Models of Nonsulfated Glycosaminoglycans with Arbitrary Lengths Using Conformations from Molecular Dynamics.

Whitmore EK, Martin D, Guvench O. Whitmore EK, et al. Among authors: guvench o. Int J Mol Sci. 2020 Oct 18;21(20):7699. doi: 10.3390/ijms21207699. Int J Mol Sci. 2020. PMID: 33080973 Free PMC article.

7

Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular Simulation.

Guvench O. Guvench O. Front Immunol. 2015 Jun 16;6:305. doi: 10.3389/fimmu.2015.00305. eCollection 2015. Front Immunol. 2015. PMID: 26136744 Free PMC article. Review.

8

Current status of protein force fields for molecular dynamics simulations.

Lopes PE, Guvench O, MacKerell AD Jr. Lopes PE, et al. Among authors: guvench o. Methods Mol Biol. 2015;1215:47-71. doi: 10.1007/978-1-4939-1465-4_3. Methods Mol Biol. 2015. PMID: 25330958 Free PMC article.

9

Rigidity and flexibility in the tetrasaccharide linker of proteoglycans from atomic-resolution molecular simulation.

Ng C, Nandha Premnath P, Guvench O. Ng C, et al. Among authors: guvench o. J Comput Chem. 2017 Jun 15;38(16):1438-1446. doi: 10.1002/jcc.24738. Epub 2017 Jan 19. J Comput Chem. 2017. PMID: 28101951

10

Computational evaluation of protein-small molecule binding.

Guvench O, MacKerell AD Jr. Guvench O, et al. Curr Opin Struct Biol. 2009 Feb;19(1):56-61. doi: 10.1016/j.sbi.2008.11.009. Epub 2009 Jan 21. Curr Opin Struct Biol. 2009. PMID: 19162472 Free PMC article.

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