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Items: 1 to 20 of 122

1.

Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.

Wagner JR, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE.

Chem Rev. 2016 Apr 13. [Epub ahead of print]

PMID:
27074285
2.

The Effect of Stimulus Intensity and Carrier Frequency on Auditory Middle- and Long-Latency Evoked Potentials Using a Steady-State-Response Approach.

Tlumak AI, Durrant JD, Delgado RE.

Am J Audiol. 2016 Mar 1;25(1):62-74. doi: 10.1044/2016_AJA-15-0061.

PMID:
26999323
3.

The Effect of Advancing Age on Auditory Middle- and Long-Latency Evoked Potentials Using a Steady-State-Response Approach.

Tlumak AI, Durrant JD, Delgado RE.

Am J Audiol. 2015 Dec;24(4):494-507. doi: 10.1044/2015_AJA-15-0036.

PMID:
26650518
4.

Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.

Durrant JD, Carlson KE, Martin TA, Offutt TL, Mayne CG, Katzenellenbogen JA, Amaro RE.

J Chem Inf Model. 2015 Sep 28;55(9):1953-61. doi: 10.1021/acs.jcim.5b00241. Epub 2015 Sep 4.

5.

Will diminishing cochlear delay affect speech perception in noise?

Huang EI, Durrant JD, Boston JR.

Int J Audiol. 2015 Aug;54(8):562-7. doi: 10.3109/14992027.2014.1002582. Epub 2015 Mar 3.

PMID:
25735205
6.

A virtual screening approach for identifying plants with anti H5N1 neuraminidase activity.

Ikram NK, Durrant JD, Muchtaridi M, Zalaludin AS, Purwitasari N, Mohamed N, Rahim AS, Lam CK, Normi YM, Rahman NA, Amaro RE, Wahab HA.

J Chem Inf Model. 2015 Feb 23;55(2):308-16. doi: 10.1021/ci500405g. Epub 2015 Jan 29.

7.

Machine-learning techniques applied to antibacterial drug discovery.

Durrant JD, Amaro RE.

Chem Biol Drug Des. 2015 Jan;85(1):14-21. doi: 10.1111/cbdd.12423.

8.

POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics.

Durrant JD, Votapka L, Sørensen J, Amaro RE.

J Chem Theory Comput. 2014 Nov 11;10(11):5047-5056. Epub 2014 Sep 29.

9.

Celastrol inhibits Plasmodium falciparum enoyl-acyl carrier protein reductase.

Tallorin L, Durrant JD, Nguyen QG, McCammon JA, Burkart MD.

Bioorg Med Chem. 2014 Nov 1;22(21):6053-61. doi: 10.1016/j.bmc.2014.09.002. Epub 2014 Sep 15.

10.

LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometry.

Durrant JD, Amaro RE.

PLoS Comput Biol. 2014 Jul 17;10(7):e1003720. doi: 10.1371/journal.pcbi.1003720. eCollection 2014 Jul.

11.

WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets.

Durrant JD, Amaro RE.

BMC Bioinformatics. 2014 May 23;15:159. doi: 10.1186/1471-2105-15-159.

12.

Computational approaches to mapping allosteric pathways.

Feher VA, Durrant JD, Van Wart AT, Amaro RE.

Curr Opin Struct Biol. 2014 Apr;25:98-103. doi: 10.1016/j.sbi.2014.02.004. Epub 2014 Mar 22. Review.

13.

Rinne revisited: steel versus aluminum tuning forks.

MacKechnie CA, Greenberg JJ, Gerkin RC, McCall AA, Hirsch BE, Durrant JD, Raz Y.

Otolaryngol Head Neck Surg. 2013 Dec;149(6):907-13. doi: 10.1177/0194599813505828. Epub 2013 Sep 30.

PMID:
24085711
14.

AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design.

Durrant JD, Lindert S, McCammon JA.

J Mol Graph Model. 2013 Jul;44:104-12. doi: 10.1016/j.jmgm.2013.05.006. Epub 2013 May 23.

15.

Comparing neural-network scoring functions and the state of the art: applications to common library screening.

Durrant JD, Friedman AJ, Rogers KE, McCammon JA.

J Chem Inf Model. 2013 Jul 22;53(7):1726-35. doi: 10.1021/ci400042y. Epub 2013 Jul 11.

16.

Children with phenylketonuria treated early: basic audiological and electrophysiological evaluation.

Mancini PC, Durrant JD, Starling AL, Iório MC.

Ear Hear. 2013 Mar-Apr;34(2):236-44. doi: 10.1097/AUD.0b013e31826a1c99.

PMID:
23038064
17.

Novel cruzain inhibitors for the treatment of Chagas' disease.

Rogers KE, Keränen H, Durrant JD, Ratnam J, Doak A, Arkin MR, McCammon JA.

Chem Biol Drug Des. 2012 Sep;80(3):398-405. doi: 10.1111/j.1747-0285.2012.01416.x. Epub 2012 Jun 27.

18.

LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders.

Lindert S, Durrant JD, McCammon JA.

Chem Biol Drug Des. 2012 Sep;80(3):358-65. doi: 10.1111/j.1747-0285.2012.01414.x. Epub 2012 Jun 27.

19.

Steady-state analysis of auditory evoked potentials over a wide range of stimulus repetition rates: profile in children vs. adults.

Tlumak AI, Durrant JD, Delgado RE, Boston JR.

Int J Audiol. 2012 Jun;51(6):480-90. doi: 10.3109/14992027.2012.664289. Epub 2012 Apr 26.

PMID:
22537002
20.

The molecular dynamics of Trypanosoma brucei UDP-galactose 4'-epimerase: a drug target for African sleeping sickness.

Friedman AJ, Durrant JD, Pierce LC, McCorvie TJ, Timson DJ, McCammon JA.

Chem Biol Drug Des. 2012 Aug;80(2):173-81. doi: 10.1111/j.1747-0285.2012.01392.x. Epub 2012 May 2.

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