Hagler A - Search Results

1

Discovery of new selective human aldose reductase inhibitors through virtual screening multiple binding pocket conformations.

Wang L, Gu Q, Zheng X, Ye J, Liu Z, Li J, Hu X, Hagler A, Xu J. Wang L, et al. Among authors: hagler a. J Chem Inf Model. 2013 Sep 23;53(9):2409-22. doi: 10.1021/ci400322j. Epub 2013 Aug 26. J Chem Inf Model. 2013. PMID: 23901876

2

Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.

Yan X, Liao C, Liu Z, Hagler AT, Gu Q, Xu J. Yan X, et al. Among authors: hagler at. Curr Drug Targets. 2016;17(14):1580-1585. doi: 10.2174/1389450116666151102095555. Curr Drug Targets. 2016. PMID: 26521773 Review.

3

Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.

Dong YN, Wang L, Gu Q, Chen H, Liu X, Song Y, Chen W, Hagler AT, Zhang H, Xu J. Dong YN, et al. Mol Divers. 2013 May;17(2):371-82. doi: 10.1007/s11030-013-9437-y. Epub 2013 Apr 13. Mol Divers. 2013. PMID: 23585056

4

Zinc and cadmium contamination in an Avicennia schaueriana mangrove environment: Mass balance and tissue distribution.

Langenbach T, Pessoa DMM, Soares MLG, Magdaleno ACRM, Hagler A, de Campos TMP. Langenbach T, et al. Among authors: hagler a. Mar Pollut Bull. 2022 Nov;184:114170. doi: 10.1016/j.marpolbul.2022.114170. Epub 2022 Oct 15. Mar Pollut Bull. 2022. PMID: 36307951

5

Tremella saccharicola f.a., sp. nov., a novel tremellaceous yeast species isolated from tropical regions.

Khunnamwong P, Surussawadee J, Ribeiro JRA, Hagler AN, Limtong S. Khunnamwong P, et al. Among authors: hagler an. Int J Syst Evol Microbiol. 2019 Jul;69(7):2010-2016. doi: 10.1099/ijsem.0.003420. Epub 2019 May 7. Int J Syst Evol Microbiol. 2019. PMID: 31063122

6

Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics.

Hagler AT. Hagler AT. J Comput Aided Mol Des. 2019 Feb;33(2):205-264. doi: 10.1007/s10822-018-0134-x. Epub 2018 Nov 30. J Comput Aided Mol Des. 2019. PMID: 30506159 Review.

7

Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?

Dauber-Osguthorpe P, Hagler AT. Dauber-Osguthorpe P, et al. Among authors: hagler at. J Comput Aided Mol Des. 2019 Feb;33(2):133-203. doi: 10.1007/s10822-018-0111-4. Epub 2018 Nov 30. J Comput Aided Mol Des. 2019. PMID: 30506158 Review.

8

Diversity of Quaternary Structures Regulates Nuclear Receptor Activities.

Fuentes-Prior P, Rojas A, Hagler AT, Estébanez-Perpiñá E. Fuentes-Prior P, et al. Among authors: hagler at. Trends Biochem Sci. 2019 Jan;44(1):2-6. doi: 10.1016/j.tibs.2018.09.005. Epub 2018 Oct 4. Trends Biochem Sci. 2019. PMID: 30293659

9

Occultifur plantarum f.a., sp. nov., a novel cystobasidiomycetous yeast species.

Khunnamwong P, Ribeiro JRA, Garcia KM, Hagler AN, Takashima M, Ohkuma M, Endoh R, Sugita T, Jindamorakot S, Limtong S. Khunnamwong P, et al. Among authors: hagler an. Int J Syst Evol Microbiol. 2017 Aug;67(8):2628-2633. doi: 10.1099/ijsem.0.001988. Epub 2017 Aug 4. Int J Syst Evol Microbiol. 2017. PMID: 28771126

10

Quantum Derivative Fitting and Biomolecular Force Fields: Functional Form, Coupling Terms, Charge Flux, Nonbond Anharmonicity, and Individual Dihedral Potentials.

Hagler AT. Hagler AT. J Chem Theory Comput. 2015 Dec 8;11(12):5555-72. doi: 10.1021/acs.jctc.5b00666. Epub 2015 Nov 16. J Chem Theory Comput. 2015. PMID: 26642978

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

104 results

Search Page

Filters