Works matching IS 0920654X AND DT 2014 AND VI 28 AND IP 8

Results: 8

AFAL: a web service for profiling amino acids surrounding ligands in proteins.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 1069, doi. 10.1007/s10822-014-9783-6

By:

Arenas-Salinas, Mauricio;
Ortega-Salazar, Samuel;
Gonzales-Nilo, Fernando;
Pohl, Ehmke;
Holmes, David S.;
Quatrini, Raquel

Publication type:

Article

Analysis of stacking overlap in nucleic acid structures: algorithm and application.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 851, doi. 10.1007/s10822-014-9767-6

By:

Pingali, Pavan;
Halder, Sukanya;
Mukherjee, Debasish;
Basu, Sankar;
Banerjee, Rahul;
Choudhury, Devapriya;
Bhattacharyya, Dhananjay

Publication type:

Article

Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 869, doi. 10.1007/s10822-014-9772-9

By:

Praditwongwan, Warachai;
Chuankhayan, Phimonphan;
Saoin, Somphot;
Wisitponchai, Tanchanok;
Lee, Vannajan;
Nangola, Sawitree;
Hong, Saw;
Minard, Philippe;
Boulanger, Pierre;
Chen, Chun-Jung;
Tayapiwatana, Chatchai

Publication type:

Article

Design of a colicin E7 based chimeric zinc-finger nuclease.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 841, doi. 10.1007/s10822-014-9765-8

By:

Németh, Eszter;
Schilli, Gabriella;
Nagy, Gábor;
Hasenhindl, Christoph;
Gyurcsik, Béla;
Oostenbrink, Chris

Publication type:

Article

Box size effects are negligible for solvation free energies of neutral solutes.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 825, doi. 10.1007/s10822-014-9766-7

By:

Parameswaran, Sreeja;
Mobley, David

Publication type:

Article

Challenging the gold standard for 3D-QSAR: template CoMFA versus X-ray alignment.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 803, doi. 10.1007/s10822-014-9761-z

By:

Wendt, Bernd;
Cramer, Richard

Publication type:

Article

H-DROP: an SVM based helical domain linker predictor trained with features optimized by combining random forest and stepwise selection.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 831, doi. 10.1007/s10822-014-9763-x

By:

Ebina, Teppei;
Suzuki, Ryosuke;
Tsuji, Ryotaro;
Kuroda, Yutaka

Publication type:

Article

Chemical space networks: a powerful new paradigm for the description of chemical space.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 8, p. 795, doi. 10.1007/s10822-014-9760-0

By:

Maggiora, Gerald;
Bajorath, Jürgen

Publication type:

Article