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Results: 1 to 20 of 116

1.

A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity.

Khairul Ikram NK, Durrant JD, Muchtaridi M, Zalaludin AS, Purwitasari N, Mohamed N, Abdul Rahim AS, Chan KL, M Normi Y, Rahman NA, Amaro RE, Wahab H.

J Chem Inf Model. 2015 Jan 2. [Epub ahead of print]

PMID:
25555059
[PubMed - as supplied by publisher]
2.

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.

PMID:
25521642
[PubMed - in process]
3.

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.

PMID:
25400521
[PubMed]
4.

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.

PMID:
25284249
[PubMed - in process]
5.

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.

PMID:
25032790
[PubMed - in process]
Free PMC Article
6.

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.

PMID:
24886360
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

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.

PMID:
24667124
[PubMed - indexed for MEDLINE]
8.

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
[PubMed - indexed for MEDLINE]
9.

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.

PMID:
23792207
[PubMed - indexed for MEDLINE]
Free PMC Article
10.

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.

PMID:
23734946
[PubMed - indexed for MEDLINE]
Free PMC Article
11.

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
[PubMed - indexed for MEDLINE]
12.

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.

PMID:
22613098
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

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.

PMID:
22594624
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

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
[PubMed - indexed for MEDLINE]
15.

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.

PMID:
22487100
[PubMed - indexed for MEDLINE]
Free PMC Article
16.

AutoClickChem: click chemistry in silico.

Durrant JD, McCammon JA.

PLoS Comput Biol. 2012;8(3):e1002397. doi: 10.1371/journal.pcbi.1002397. Epub 2012 Mar 15.

PMID:
22438795
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

Steady-state analysis of auditory evoked potentials over a wide range of stimulus repetition rates in awake vs. natural sleep.

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

Int J Audiol. 2012 May;51(5):418-23. doi: 10.3109/14992027.2011.645509. Epub 2012 Jan 27.

PMID:
22283465
[PubMed - indexed for MEDLINE]
18.

Molecular dynamics simulations and drug discovery.

Durrant JD, McCammon JA.

BMC Biol. 2011 Oct 28;9:71. doi: 10.1186/1741-7007-9-71. Review.

PMID:
22035460
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

NNScore 2.0: a neural-network receptor-ligand scoring function.

Durrant JD, McCammon JA.

J Chem Inf Model. 2011 Nov 28;51(11):2897-903. doi: 10.1021/ci2003889. Epub 2011 Nov 3.

PMID:
22017367
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

CrystalDock: a novel approach to fragment-based drug design.

Durrant JD, Friedman AJ, McCammon JA.

J Chem Inf Model. 2011 Oct 24;51(10):2573-80. doi: 10.1021/ci200357y. Epub 2011 Oct 5.

PMID:
21910501
[PubMed - indexed for MEDLINE]
Free PMC Article
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