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Results: 1 to 20 of 223

1.

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.

Cortes-Ciriano I, Murrell DS, van Westen GJ, Bender A, Malliavin TE.

J Cheminform. 2015 Jan 16;7:1. doi: 10.1186/s13321-014-0049-z. eCollection 2015.

PMID:
25705261
[PubMed]
Free PMC Article
2.

Maximizing computational tools for successful drug discovery.

Nantasenamat C, Prachayasittikul V.

Expert Opin Drug Discov. 2015 Feb 18:1-9. [Epub ahead of print]

PMID:
25693813
[PubMed - as supplied by publisher]
3.

Correction: In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni.

The PLOS Neglected Tropical Diseases Staff.

PLoS Negl Trop Dis. 2015 Feb 18;9(2):e0003554. doi: 10.1371/journal.pntd.0003554. eCollection 2015 Feb.

PMID:
25692997
[PubMed - as supplied by publisher]
Free PMC Article
4.

In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni.

Neves BJ, Braga RC, Bezerra JC, Cravo PV, Andrade CH.

PLoS Negl Trop Dis. 2015 Jan 8;9(1):e3435. doi: 10.1371/journal.pntd.0003435. eCollection 2015 Jan.

PMID:
25569258
[PubMed - in process]
Free PMC Article
5.

Isolation, structure elucidation, and total synthesis of tryptopeptins A and B, new TGF-β signaling modulators from Streptomyces sp.

Tsunematsu Y, Nishimura S, Hattori A, Oishi S, Fujii N, Kakeya H.

Org Lett. 2015 Jan 16;17(2):258-61. doi: 10.1021/ol503340k. Epub 2015 Jan 5.

PMID:
25560738
[PubMed - in process]
6.

Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR).

Myint KZ, Xie XQ.

Methods Mol Biol. 2015;1260:149-64. doi: 10.1007/978-1-4939-2239-0_9.

PMID:
25502380
[PubMed - in process]
7.

The interplay between molecular modeling and chemoinformatics to characterize protein-ligand and protein-protein interactions landscapes for drug discovery.

Medina-Franco JL, Méndez-Lucio O, Martinez-Mayorga K.

Adv Protein Chem Struct Biol. 2014;96:1-37. doi: 10.1016/bs.apcsb.2014.06.001. Epub 2014 Aug 24.

PMID:
25443953
[PubMed - in process]
8.

The 'SAR Matrix' method and its extensions for applications in medicinal chemistry and chemogenomics.

Gupta-Ostermann D, Bajorath J.

Version 2. F1000Res. 2014 May 16 [revised 2014 Jun 23];3:113. doi: 10.12688/f1000research.4185.2. eCollection 2014.

PMID:
25383183
[PubMed]
Free PMC Article
9.

Ligand efficiency-based support vector regression models for predicting bioactivities of ligands to drug target proteins.

Sugaya N.

J Chem Inf Model. 2014 Oct 27;54(10):2751-63. doi: 10.1021/ci5003262. Epub 2014 Sep 22.

PMID:
25220713
[PubMed - in process]
10.

Chemical genetic and chemogenomic analysis in yeast.

Coorey NV, Sampson LD, Barber JM, Bellows DS.

Methods Mol Biol. 2014;1205:169-86. doi: 10.1007/978-1-4939-1363-3_11.

PMID:
25213245
[PubMed - in process]
11.

Simple Ligand-Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison.

Chupakhin V, Marcou G, Gaspar H, Varnek A.

Comput Struct Biotechnol J. 2014 Jun 11;10(16):33-7. doi: 10.1016/j.csbj.2014.05.004. eCollection 2014 Jun.

PMID:
25210596
[PubMed]
Free PMC Article
12.

Progress in the analysis of multiple activity profile of screening data using computational approaches.

Kuyoc-Carrillo VF, Medina-Franco JL.

Drug Dev Res. 2014 Aug;75(5):313-23. doi: 10.1002/ddr.21209.

PMID:
25160071
[PubMed - in process]
13.

Oncogene mimicry as a mechanism of primary resistance to BRAF inhibitors.

Sos ML, Levin RS, Gordan JD, Oses-Prieto JA, Webber JT, Salt M, Hann B, Burlingame AL, McCormick F, Bandyopadhyay S, Shokat KM.

Cell Rep. 2014 Aug 21;8(4):1037-48. doi: 10.1016/j.celrep.2014.07.010. Epub 2014 Aug 7.

PMID:
25127139
[PubMed - in process]
Free PMC Article
14.

Computational methods for analysis and inference of kinase/inhibitor relationships.

Ferrè F, Palmeri A, Helmer-Citterich M.

Front Genet. 2014 Jun 30;5:196. doi: 10.3389/fgene.2014.00196. eCollection 2014. Review.

PMID:
25071826
[PubMed]
Free PMC Article
15.

Proteochemometric modeling in a Bayesian framework.

Cortes-Ciriano I, van Westen GJ, Lenselink EB, Murrell DS, Bender A, Malliavin T.

J Cheminform. 2014 Jun 28;6:35. doi: 10.1186/1758-2946-6-35. eCollection 2014.

PMID:
25045403
[PubMed]
Free PMC Article
16.

The yeast deletion collection: a decade of functional genomics.

Giaever G, Nislow C.

Genetics. 2014 Jun;197(2):451-65. doi: 10.1534/genetics.114.161620. Epub 2014 Jun 17.

PMID:
24939991
[PubMed - in process]
Free PMC Article
17.

Computational chemogenomics: is it more than inductive transfer?

Brown JB, Okuno Y, Marcou G, Varnek A, Horvath D.

J Comput Aided Mol Des. 2014 Jun;28(6):597-618. doi: 10.1007/s10822-014-9743-1. Epub 2014 Apr 27.

PMID:
24771144
[PubMed - indexed for MEDLINE]
18.

Mapping the cellular response to small molecules using chemogenomic fitness signatures.

Lee AY, St Onge RP, Proctor MJ, Wallace IM, Nile AH, Spagnuolo PA, Jitkova Y, Gronda M, Wu Y, Kim MK, Cheung-Ong K, Torres NP, Spear ED, Han MK, Schlecht U, Suresh S, Duby G, Heisler LE, Surendra A, Fung E, Urbanus ML, Gebbia M, Lissina E, Miranda M, Chiang JH, Aparicio AM, Zeghouf M, Davis RW, Cherfils J, Boutry M, Kaiser CA, Cummins CL, Trimble WS, Brown GW, Schimmer AD, Bankaitis VA, Nislow C, Bader GD, Giaever G.

Science. 2014 Apr 11;344(6180):208-11. doi: 10.1126/science.1250217. Erratum in: Science. 2014 May 23;344(6186):1255771.

PMID:
24723613
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

AlzPlatform: an Alzheimer's disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research.

Liu H, Wang L, Lv M, Pei R, Li P, Pei Z, Wang Y, Su W, Xie XQ.

J Chem Inf Model. 2014 Apr 28;54(4):1050-60. doi: 10.1021/ci500004h. Epub 2014 Mar 20.

PMID:
24597646
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?

Wang L, Xie XQ.

Future Med Chem. 2014 Mar;6(3):247-9. doi: 10.4155/fmc.14.5. No abstract available.

PMID:
24575960
[PubMed - indexed for MEDLINE]
Free Article
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