Works matching IS 0920-654X AND VI 28 AND IP 12 AND DT 2014

Results: 7

Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1175, doi. 10.1007/s10822-014-9793-4

By:

Kim, Soo-Kyung;
Goddard, William

Publication type:

Article

Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1191, doi. 10.1007/s10822-014-9794-3

By:

Eid, Sameh;
Saleh, Noureldin;
Zalewski, Adam;
Vedani, Angelo

Publication type:

Article

Structure-activity relationships of thiostrepton derivatives: implications for rational drug design.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1205, doi. 10.1007/s10822-014-9797-0

By:

Wolf, Antje;
Schoof, Sebastian;
Baumann, Sascha;
Arndt, Hans-Dieter;
Kirschner, Karl

Publication type:

Article

Seeking potential anticonvulsant agents that target GABA receptors using experimental and theoretical procedures.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1217, doi. 10.1007/s10822-014-9798-z

By:

Saavedra-Vélez, Margarita;
Correa-Basurto, José;
Matus, Myrna;
Gasca-Pérez, Eloy;
Bello, Martiniano;
Cuevas-Hernández, Roberto;
García-Rodríguez, Rosa;
Trujillo-Ferrara, José;
Ramos-Morales, Fernando

Publication type:

Article

Investigation of the intermolecular recognition mechanism between the E3 ubiquitin ligase Keap1 and substrate based on multiple substrates analysis.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1233, doi. 10.1007/s10822-014-9799-y

By:

Jiang, Zheng-Yu;
Xu, Li-Li;
Lu, Meng-Chen;
Pan, Yang;
Huang, Hao-Ze;
Zhang, Xiao-Jin;
Sun, Hao-Peng;
You, Qi-Dong

Publication type:

Article

Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1247, doi. 10.1007/s10822-014-9800-9

By:

Kumar, Vikash;
Khan, Saman;
Gupta, Priyanka;
Rastogi, Namrata;
Mishra, Durga;
Ahmed, Shakil;
Siddiqi, Mohammad

Publication type:

Article

A density functional reactivity theory (DFRT) based approach to understand the interaction of cisplatin analogues with protecting agents.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1153, doi. 10.1007/s10822-014-9790-7

By:

Sarmah, Amrit;
Roy, Ram

Publication type:

Article