Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 20 of 93


A Systematic Review of Computational Drug Discovery, Development, and Repurposing for Ebola Virus Disease Treatment.

Schuler J, Hudson ML, Schwartz D, Samudrala R.

Molecules. 2017 Oct 20;22(10). pii: E1777. doi: 10.3390/molecules22101777. Review.


Combating Ebola with Repurposed Therapeutics Using the CANDO Platform.

Chopra G, Kaushik S, Elkin PL, Samudrala R.

Molecules. 2016 Nov 25;21(12). pii: E1537.


Mycobacterium Cytidylate Kinase Appears to Be an Undruggable Target.

Craig JK, Risler JK, Loesch KA, Dong W, Baker D, Barrett LK, Subramanian S, Samudrala R, Van Voorhis WC.

J Biomol Screen. 2016 Aug;21(7):695-700. doi: 10.1177/1087057116646702. Epub 2016 May 4.


Exploring Polypharmacology in Drug Discovery and Repurposing Using the CANDO Platform.

Chopra G, Samudrala R.

Curr Pharm Des. 2016;22(21):3109-23. Review.


Composite Sequence-Structure Stability Models as Screening Tools for Identifying Vulnerable Targets for HIV Drug and Vaccine Development.

Manocheewa S, Mittler JE, Samudrala R, Mullins JI.

Viruses. 2015 Nov 4;7(11):5718-35. doi: 10.3390/v7112901.


Data access for the 1,000 Plants (1KP) project.

Matasci N, Hung LH, Yan Z, Carpenter EJ, Wickett NJ, Mirarab S, Nguyen N, Warnow T, Ayyampalayam S, Barker M, Burleigh JG, Gitzendanner MA, Wafula E, Der JP, dePamphilis CW, Roure B, Philippe H, Ruhfel BR, Miles NW, Graham SW, Mathews S, Surek B, Melkonian M, Soltis DE, Soltis PS, Rothfels C, Pokorny L, Shaw JA, DeGironimo L, Stevenson DW, Villarreal JC, Chen T, Kutchan TM, Rolf M, Baucom RS, Deyholos MK, Samudrala R, Tian Z, Wu X, Sun X, Zhang Y, Wang J, Leebens-Mack J, Wong GK.

Gigascience. 2014 Oct 27;3:17. doi: 10.1186/2047-217X-3-17. eCollection 2014. Review.


Preferential Promotion of Lycopersicon esculentum (Tomato) Growth by Plant Growth Promoting Bacteria Associated with Tomato.

Vaikuntapu PR, Dutta S, Samudrala RB, Rao VR, Kalam S, Podile AR.

Indian J Microbiol. 2014 Dec;54(4):403-12. doi: 10.1007/s12088-014-0470-z. Epub 2014 May 15.


CANDO and the infinite drug discovery frontier.

Minie M, Chopra G, Sethi G, Horst J, White G, Roy A, Hatti K, Samudrala R.

Drug Discov Today. 2014 Sep;19(9):1353-63. doi: 10.1016/j.drudis.2014.06.018. Epub 2014 Jun 26. Review.


fast_protein_cluster: parallel and optimized clustering of large-scale protein modeling data.

Hung LH, Samudrala R.

Bioinformatics. 2014 Jun 15;30(12):1774-6. doi: 10.1093/bioinformatics/btu098. Epub 2014 Feb 14.


Distal effect of amino acid substitutions in CYP2C9 polymorphic variants causes differences in interatomic interactions against (S)-warfarin.

Lertkiatmongkol P, Assawamakin A, White G, Chopra G, Rongnoparut P, Samudrala R, Tongsima S.

PLoS One. 2013 Sep 2;8(9):e74053. doi: 10.1371/journal.pone.0074053. eCollection 2013. Erratum in: PLoS One. 2013;8(9). doi:10.1371/annotation/416be1ef-f439-445a-96f8-b1d2f01c6957.


Structure prediction of partial-length protein sequences.

Laurenzi A, Hung LH, Samudrala R.

Int J Mol Sci. 2013 Jul 17;14(7):14892-907. doi: 10.3390/ijms140714892.


Homo-dimerization and ligand binding by the leucine-rich repeat domain at RHG1/RFS2 underlying resistance to two soybean pathogens.

Afzal AJ, Srour A, Goil A, Vasudaven S, Liu T, Samudrala R, Dogra N, Kohli P, Malakar A, Lightfoot DA.

BMC Plant Biol. 2013 Mar 15;13:43. doi: 10.1186/1471-2229-13-43.


The Promise and Challenge of Digital Biology.

Minie ME, Samudrala R.

J Bioeng Biomed Sci. 2013;3(3). pii: e118. doi: 10.4172/2155-9538.1000e118. Epub 2013 Dec 4. No abstract available.


Self-assembly of filamentous amelogenin requires calcium and phosphate: from dimers via nanoribbons to fibrils.

Martinez-Avila O, Wu S, Kim SJ, Cheng Y, Khan F, Samudrala R, Sali A, Horst JA, Habelitz S.

Biomacromolecules. 2012 Nov 12;13(11):3494-502. doi: 10.1021/bm300942c. Epub 2012 Sep 28.


The enzymatic and metabolic capabilities of early life.

Goldman AD, Baross JA, Samudrala R.

PLoS One. 2012;7(9):e39912. doi: 10.1371/journal.pone.0039912. Epub 2012 Sep 10.


Cementomimetics-constructing a cementum-like biomineralized microlayer via amelogenin-derived peptides.

Gungormus M, Oren EE, Horst JA, Fong H, Hnilova M, Somerman MJ, Snead ML, Samudrala R, Tamerler C, Sarikaya M.

Int J Oral Sci. 2012 Jun;4(2):69-77. doi: 10.1038/ijos.2012.40. Epub 2012 Jun 29.


Accelerated protein structure comparison using TM-score-GPU.

Hung LH, Samudrala R.

Bioinformatics. 2012 Aug 15;28(16):2191-2. doi: 10.1093/bioinformatics/bts345. Epub 2012 Jun 19.


LoCo: a novel main chain scoring function for protein structure prediction based on local coordinates.

Moughon SE, Samudrala R.

BMC Bioinformatics. 2011 Sep 15;12:368. doi: 10.1186/1471-2105-12-368.

Supplemental Content

Loading ...
Support Center