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Works matching IS 0920654X AND DT 2010 AND VI 24 AND IP 10

Results: 6

1

Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 803, doi. 10.1007/s10822-010-9375-z

By:

Salum, Lívia;
Valadares, Napoleão

Publication type:

Article

2

T-Analyst: a program for efficient analysis of protein conformational changes by torsion angles.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 819, doi. 10.1007/s10822-010-9376-y

By:

Ai, Rizi;
Qaiser Fatmi, M.;
Chang, Chia-en

Publication type:

Article

3

Mechanisms of amphipathic helical peptide denaturation by guanidinium chloride and urea: a molecular dynamics simulation study.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 829, doi. 10.1007/s10822-010-9377-x

By:

Mehrnejad, Faramarz;
Khadem-Maaref, Mahmoud;
Ghahremanpour, Mohammad;
Doustdar, Farahnoosh

Publication type:

Article

4

QMOD: physically meaningful QSAR.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 865, doi. 10.1007/s10822-010-9379-8

By:

Jain, Ajay

Publication type:

Article

5

Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 843, doi. 10.1007/s10822-010-9378-9

By:

Manoharan, Prabu;
Vijayan, R.;
Ghoshal, Nanda

Publication type:

Article

6

Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 10, p. 879, doi. 10.1007/s10822-010-9380-2

By:

Lee, Vannajan;
Kodchakorn, Kanchanok;
Jitonnom, Jitrayut;
Nimmanpipug, Piyarat;
Kongtawelert, Prachya;
Premanode, Bhusana

Publication type:

Article