Works matching IS 16102940 AND DT 2014 AND VI 20 AND IP 1

Results: 8

Theoretical study of X · 1 · YF (1 = triazine, X = Cl, Br and I, Y = H, Cl, Br, I, PH and AsH): noncovalently electron-withdrawing effects on anion-arene interactions.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2076-0

By:

Chen, Yishan;
Yao, Lifeng

Publication type:

Article

Quantitative characterization of protein tertiary motifs.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2077-z

By:

Joshi, Rajani;
Sreenath, S.

Publication type:

Article

Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2080-4

By:

Al-Sha'er, Mahmoud;
Khanfar, Mohammad;
Taha, Mutasem

Publication type:

Article

Density functional investigations on 2-naphthalenecarbonitrile dimerization within cucurbit[8]uril cavitand.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2073-3

By:

Peerannawar, Swarada;
Rao, Soniya;
Gejji, Shridhar

Publication type:

Article

Density functional studies of the stepwise substitution of pyridine, pyridazine, pyrimidine, pyrazine, and 1,3,5-triazine with BCO.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2079-x

By:

Qin, Xiao-Fang;
Wang, Feng;
Wu, Hai-Shun

Publication type:

Article

How 'drug-like' are naturally occurring anti-cancer compounds?

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2069-z

By:

Ntie-Kang, Fidele;
Lifongo, Lydia;
Judson, Philip;
Sippl, Wolfgang;
Efange, Simon

Publication type:

Article

DFT study of ozone dissociation on BC graphene with Stone-Wales defects.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2071-5

By:

Peyghan, Ali;
Moradi, Morteza

Publication type:

Article

First-principles study of electric field effects on the structure, decomposition mechanism, and stability of crystalline lead styphnate.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 1, p. 1, doi. 10.1007/s00894-014-2072-4

By:

Li, Zhimin;
Huang, Huisheng;
Zhang, Tonglai;
Zhang, Shengtao;
Zhang, Jianguo;
Yang, Li

Publication type:

Article