Works in Journal of Computer-Aided Molecular Design, 2011, Vol 25, Issue 3

Results: 9

Rethinking 3D-QSAR.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 197, doi. 10.1007/s10822-010-9403-z

By:

Cramer, Richard

Publication type:

Article

Applying forces to elastic network models of large biomolecules using a haptic feedback device.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 203, doi. 10.1007/s10822-010-9410-0

By:

Stocks, M. B.;
Laycock, S. D.;
Hayward, S.

Publication type:

Article

Structure-activity relationships of diphenyl-ether as protoporphyrinogen oxidase inhibitors: insights from computational simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 213, doi. 10.1007/s10822-011-9412-6

By:

Ge-Fei Hao;
Ying Tan;
Ning-Xi Yu;
Guang-Fu Yang

Publication type:

Article

Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 223, doi. 10.1007/s10822-011-9413-5

By:

Dobeš, Petr;
Fanfrlík, Jindřich;
Řezáč, Jan;
Otyepka, Michal;
Hobza, Pavel

Publication type:

Article

Why you should read Dr. Cramer's perspective.

Published in:

2011

By:

Martin, Yvonne Connolly

Publication type:

Editorial

Local neighborhood behavior in a combinatorial library context.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 237, doi. 10.1007/s10822-011-9416-2

By:

Horvath, Dragos;
Koch, Christian;
Schneider, Gisbert;
Marcou, Gilles;
Varnek, Alexandre

Publication type:

Article

Towards a rational spacer design for bivalent inhibition of estrogen receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 253, doi. 10.1007/s10822-011-9417-1

By:

Bujotzek, Alexander;
Min Shan;
Haag, Rainer;
Weber, Marcus

Publication type:

Article

Modeling of the structure and interactions of the B. anthracis antitoxin, MoxX: deletion mutant studies highlight its modular structure and repressor function.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 275, doi. 10.1007/s10822-011-9419-z

By:

Chopra, Nikita;
Agarwal, Shivangi;
Verma, Shashikala;
Bhatnagar, Sonika;
Bhatnagar, Rakesh

Publication type:

Article

Structure-guided fragment-based in silico drug design of dengue protease inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 3, p. 263, doi. 10.1007/s10822-011-9418-0

By:

Knehans, Tim;
Schüller, Andreas;
Doan, Danny N.;
Nacro, Kassoum;
Hill, Jeffrey;
Güntert, Peter;
Madhusudhan, M. S.;
Weil, Tanja;
Vasudevan, Subhash G.

Publication type:

Article