Works in Journal of Computer-Aided Molecular Design, 2011, Vol 25, Issue 4

Results: 7

Structural insights into transient receptor potential vanilloid type 1 (TRPV1) from homology modeling, flexible docking, and mutational studies.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 317, doi. 10.1007/s10822-011-9421-5

By:

Jin Lee;
Yoonji Lee;
HyungChul Ryu;
Dong Wook Kang;
Jeewoo Lee;
Lazar, Jozsef;
Pearce, Larry V.;
Pavlyukovets, Vladimir A.;
Blumberg, Peter M.;
Sun Choi

Publication type:

Article

Machine learning study for the prediction of transdermal peptide.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 339, doi. 10.1007/s10822-011-9424-2

By:

Eunkyoung Jung;
Seung-Hoon Choi;
Nam Lee;
Sang-Kee Kang;
Yun-Jaie Choi;
Jae-Min Shin;
Kihang Choi;
Dong Jung

Publication type:

Article

Comparison of three GPCR structural templates for modeling of the P2Y nucleotide receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 329, doi. 10.1007/s10822-011-9423-3

By:

Deflorian, Francesca;
Jacobson, Kenneth A.

Publication type:

Article

Understanding molecular structure from molecular mechanics.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 295, doi. 10.1007/s10822-011-9422-4

By:

Allinger, Norman L.

Publication type:

Article

A giant's shoulders: a Perspective from Professor Norman L. Allinger.

Published in:

2011

By:

Stouch, Terry R.;
Martin, Yvonne C.

Publication type:

Editorial

Docking and quantitative structure-activity relationship studies for 3-fluoro-4-(pyrrolo[2,1- f][1,2,4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives as c-Met kinase inhibitors

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 349, doi. 10.1007/s10822-011-9425-1

By:

Caballero, Julio;
Quiliano, Miguel;
Alzate-Morales, Jans;
Zimic, Mirko;
Deharo, Eric

Publication type:

Article

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 371, doi. 10.1007/s10822-011-9427-z

By:

Pérez-Castillo, Yunierkis;
Froeyen, Matheus;
Cabrera-Pérez, Miguel;
Nowé, Ann

Publication type:

Article