Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 166

1.

Illuminator: increasing synergies between medicinal and computational chemists.

Gobbi A, Lardy M, Kim SH, Ruebsam F, Tran M, Webber SE, Xiang AX.

In Silico Biol. 2011-2012;11(1-2):83-93. doi: 10.3233/CI-2009-0017.

PMID:
22475753
2.

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

Therrien E, Englebienne P, Arrowsmith AG, Mendoza-Sanchez R, Corbeil CR, Weill N, Campagna-Slater V, Moitessier N.

J Chem Inf Model. 2012 Jan 23;52(1):210-24. doi: 10.1021/ci2004779.

PMID:
22133077
4.

Computer-aided drug design platform using PyMOL.

Lill MA, Danielson ML.

J Comput Aided Mol Des. 2011 Jan;25(1):13-9. doi: 10.1007/s10822-010-9395-8.

PMID:
21053052
5.

FOCUS--Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

Stiefl N, Gedeck P, Chin D, Hunt P, Lindvall M, Spiegel K, Springer C, Biller S, Buenemann C, Kanazawa T, Kato M, Lewis R, Martin E, Polyakov V, Tommasi R, van Drie J, Vash B, Whitehead L, Xu Y, Abagyan R, Raush E, Totrov M.

J Chem Inf Model. 2015 Apr 27;55(4):896-908. doi: 10.1021/ci500598e.

PMID:
25816021
6.

Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates.

Segall M, Champness E, Leeding C, Lilien R, Mettu R, Stevens B.

J Chem Inf Model. 2011 Nov 28;51(11):2967-76. doi: 10.1021/ci2003208.

PMID:
21981548
7.

Should medicinal chemists do molecular modelling?

Ritchie TJ, McLay IM.

Drug Discov Today. 2012 Jun;17(11-12):534-7. doi: 10.1016/j.drudis.2012.01.005.

PMID:
22269135
8.

Computational medicinal chemistry in fragment-based drug discovery: what, how and when.

Rabal O, Urbano-Cuadrado M, Oyarzabal J.

Future Med Chem. 2011 Jan;3(1):95-134. doi: 10.4155/fmc.10.277. Review.

PMID:
21428828
9.

A molecular-modeling toolbox aimed at bridging the gap between medicinal chemistry and computational sciences.

Eid S, Zalewski A, Smieško M, Ernst B, Vedani A.

Int J Mol Sci. 2013 Jan 4;14(1):684-700. doi: 10.3390/ijms14010684.

10.
11.

Current topics on software use in medicinal chemistry: intellectual property, taxes, and regulatory issues.

Duardo-Sánchez A, Patlewicz G, López-Díaz A.

Curr Top Med Chem. 2008;8(18):1666-75.

PMID:
19075773
12.

Project-focused activity and knowledge tracker: a unified data analysis, collaboration, and workflow tool for medicinal chemistry project teams.

Brodney MD, Brosius AD, Gregory T, Heck SD, Klug-McLeod JL, Poss CS.

J Chem Inf Model. 2009 Dec;49(12):2639-49. doi: 10.1021/ci9002443.

PMID:
19899777
13.

Predicting drug-likeness: why and how?

Ajay.

Curr Top Med Chem. 2002 Dec;2(12):1273-86. Review.

PMID:
12470280
14.

Recent development and application of virtual screening in drug discovery: an overview.

Hou T, Xu X.

Curr Pharm Des. 2004;10(9):1011-33. Review.

PMID:
15078130
15.

Molecular similarity in medicinal chemistry.

Maggiora G, Vogt M, Stumpfe D, Bajorath J.

J Med Chem. 2014 Apr 24;57(8):3186-204. doi: 10.1021/jm401411z.

PMID:
24151987
16.

Modeling of activity landscapes for drug discovery.

Bajorath J.

Expert Opin Drug Discov. 2012 Jun;7(6):463-73. doi: 10.1517/17460441.2012.679616. Review.

PMID:
22475223
17.

Molecular conceptor for training in medicinal chemistry, drug design, and cheminformatics.

Cohen C, Fischel O, Cohen E.

Chem Biol Drug Des. 2007 Jan;69(1):75-82.

PMID:
17313460
18.

Diversity oriented synthesis: a challenge for synthetic chemists.

Bender A, Fergus S, Galloway WR, Glansdorp FG, Marsden DM, Nicholson RL, Spandl RJ, Thomas GL, Wyatt EE, Glen RC, Spring DR.

Ernst Schering Res Found Workshop. 2006;(58):47-60. Review.

PMID:
16708998
19.

Patents of bio-active compounds based on computer-aided drug discovery techniques.

Prado-Prado F, Garcia-Mera X, Rodriguez-Borges JE, Concu R, Perez-Montoto LG, Gonzalez-Diaz H, Duardo-Sanchez A.

Front Biosci (Elite Ed). 2013 Jan 1;5:399-407. Review.

PMID:
23276997
20.

PGVL Hub: An integrated desktop tool for medicinal chemists to streamline design and synthesis of chemical libraries and singleton compounds.

Peng Z, Yang B, Mattaparti S, Shulok T, Thacher T, Kong J, Kostrowicki J, Hu Q, Na J, Zhou JZ, Klatte D, Chao B, Ito S, Clark J, Sciammetta N, Coner B, Waller C, Kuki A.

Methods Mol Biol. 2011;685:295-320. doi: 10.1007/978-1-60761-931-4_15.

PMID:
20981530

Supplemental Content

Support Center