Volume 27; Issue 1

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Journal of Computer-Aided Molecular Design
Volume 27; Issue 1

Journal of Computer-Aided Molecular Design

Volume 27; Issue 1

1

Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthase

Jarmuła, Adam, Rode, Wojciech

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

2

Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

Zanuy, David, Sayago, Francisco J., Revilla-López, Guillem, Ballano, Gema, Agemy, Lilach, Kotamraju, Venkata Ramana, Jiménez, Ana I., Cativiela, Carlos, Nussinov, Ruth, Sawvel, April M., Stucky, Galen

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 800 KB

english, 2013

3

EuLoc: a web-server for accurately predict protein subcellular localization in eukaryotes by incorporating various features of sequence segments into the general form of Chou’s PseAAC

Chang, Tzu-Hao, Wu, Li-Ching, Lee, Tzong-Yi, Chen, Shu-Pin, Huang, Hsien-Da, Horng, Jorng-Tzong

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 347 KB

english, 2013

4

Inflation of correlation in the pursuit of drug-likeness

Kenny, Peter W., Montanari, Carlos A.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 837 KB

english, 2013

5

A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

Schneider, Nadine, Lange, Gudrun, Hindle, Sally, Klein, Robert, Rarey, Matthias

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 966 KB

english, 2013

6

Combined use of pharmacophoric models together with drug metabolism and genotoxicity “in silico” studies in the hit finding process

Jerez, Ma JosÃ©, Jerez, Miguel, GonzÃ¡lez-GarcÃa, Coral, Ballester, Sara, Castro, Ana

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 937 KB

english, 2013

7

Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity

Peng Zhou, Congcong Wang, Feifei Tian…

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

Language:

english

File:

PDF, 792 KB

english, 2013

8

Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Pavel V. Klimovich, David L. Mobley

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

File:

PDF, 94 KB

2013