Search Page
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
Filters
Results by year
Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
---|---|
2011 | 6 |
2012 | 4 |
2024 | 0 |
Search Results
7 results
Results by year
Filters applied: . Clear all
Page 1
Recent Developments and Applications of the CHARMM force fields.
Wiley Interdiscip Rev Comput Mol Sci. 2012 Jan;2(1):167-185. doi: 10.1002/wcms.74. Epub 2011 Jun 28.
Wiley Interdiscip Rev Comput Mol Sci. 2012.
PMID: 23066428
Free PMC article.
Desmethyl Macrolides: Synthesis and Evaluation of 4,10-Didesmethyl Telithromycin.
Velvadapu V, Glassford I, Lee M, Paul T, Debrosse C, Klepacki D, Small MC, Mackerell AD Jr, Andrade RB.
Velvadapu V, et al.
ACS Med Chem Lett. 2012 Mar 8;3(3):211-215. doi: 10.1021/ml200254h. Epub 2012 Jan 15.
ACS Med Chem Lett. 2012.
PMID: 22708010
Free PMC article.
Item in Clipboard
CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.
Mallajosyula SS, Guvench O, Hatcher E, Mackerell AD Jr.
Mallajosyula SS, et al.
J Chem Theory Comput. 2012 Feb 14;8(2):759-776. doi: 10.1021/ct200792v. Epub 2011 Dec 26.
J Chem Theory Comput. 2012.
PMID: 22685386
Free PMC article.
Item in Clipboard
CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.
Guvench O, Mallajosyula SS, Raman EP, Hatcher E, Vanommeslaeghe K, Foster TJ, Jamison FW 2nd, Mackerell AD Jr.
Guvench O, et al.
J Chem Theory Comput. 2011 Oct 11;7(10):3162-3180. doi: 10.1021/ct200328p.
J Chem Theory Comput. 2011.
PMID: 22125473
Free PMC article.
Item in Clipboard
Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
Lee KI, Jo S, Rui H, Egwolf B, Roux B, Pastor RW, Im W.
Lee KI, et al.
J Comput Chem. 2012 Jan 30;33(3):331-9. doi: 10.1002/jcc.21952. Epub 2011 Nov 21.
J Comput Chem. 2012.
PMID: 22102176
Free PMC article.
Item in Clipboard
Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides.
Mallajosyula SS, MacKerell AD Jr.
Mallajosyula SS, et al.
J Phys Chem B. 2011 Sep 29;115(38):11215-29. doi: 10.1021/jp203695t. Epub 2011 Aug 31.
J Phys Chem B. 2011.
PMID: 21823626
Free PMC article.
Item in Clipboard
Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins.
Jo S, Song KC, Desaire H, MacKerell AD Jr, Im W.
Jo S, et al.
J Comput Chem. 2011 Nov 15;32(14):3135-41. doi: 10.1002/jcc.21886. Epub 2011 Aug 3.
J Comput Chem. 2011.
PMID: 21815173
Free PMC article.
Item in Clipboard
Cite
Cite