Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 7

Results: 12

Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1195, doi. 10.1007/s00894-009-0630-y

By:

Xiu-Mei Chen;
Tao Lu;
Shuai Lu;
Hui-Fang Li;
Hao-Liang Yuan;
Ting Ran;
Hai-Chun Liu;
Ya-Dong Chen

Publication type:

Article

Quantum chemical studies on the inhibition potentials of some Penicillin compounds for the corrosion of mild steel in 0.1 M HCl.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1291, doi. 10.1007/s00894-009-0635-6

By:

Eddy, Nnabuk Okon;
Ebenso, Eno E.

Publication type:

Article

TollML: a database of toll-like receptor structural motifs.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1283, doi. 10.1007/s00894-009-0640-9

By:

Jing Gong;
Tiandi Wei;
Ning Zhang;
Jamitzky, Ferdinand;
Heckl, Wolfgang M.;
Rössle, Shaila C.;
Stark, Robert W.

Publication type:

Article

“Fuzzy oil drop” model applied to individual small proteins built of 70 amino acids.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1269, doi. 10.1007/s00894-009-0639-2

By:

Prymula, Katarzyna;
Sałapa, Kinga;
Roterman, Irena

Publication type:

Article

Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1251, doi. 10.1007/s00894-009-0636-5

By:

Khedkar, Vijay M.;
Ambre, Premlata K.;
Verma, Jitender;
Shaikh, Mushtaque S.;
Pissurlenkar, Raghuvir R. S.;
Coutinho, Evans C.

Publication type:

Article

Molecular docking and 3D-QSAR studies on β-phenylalanine derivatives as dipeptidyl peptidase IV inhibitors.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1239, doi. 10.1007/s00894-009-0637-4

By:

Yan-Ke Jiang

Publication type:

Article

The local electron affinity for non-minimal basis sets.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1231, doi. 10.1007/s00894-009-0607-x

By:

Clark, Timothy

Publication type:

Article

Improving performance of docking-based virtual screening by structural filtration.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1223, doi. 10.1007/s00894-009-0633-8

By:

Novikov, Fedor N.;
Stroylov, Viktor S.;
Stroganov, Oleg V.;
Chilov, Ghermes G.

Publication type:

Article

Homology modeling and molecular dynamics simulations of HgiDII methyltransferase in complex with DNA and S-adenosyl-methionine: Catalytic mechanism and interactions with DNA.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1213, doi. 10.1007/s00894-009-0632-9

By:

Castelán-Vega, Juan A.;
Jiménez-Alberto, Alicia;
Ribas-Aparicio, Rosa M.

Publication type:

Article

Does molecular docking reveal alternative chemopreventive mechanism of activation of oxidoreductase by sulforaphane isothiocyanates?

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1205, doi. 10.1007/s00894-009-0628-5

By:

Mazur, Pawel;
Magdziarz, Tomasz;
Bak, Andrzej;
Chilmonczyk, Zdzislaw;
Kasprzycka-Guttman, Teresa;
Misiewicz-Krzemińska, Irena;
Skupińska, Katarzyna;
Polanski, Jaroslaw

Publication type:

Article

Density functional studies of the substituent effect on absorption and emission properties of 1, 8-naphthalimide derivatives.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1179, doi. 10.1007/s00894-009-0631-x

By:

Qi Qi;
Yongquan Ha;
Yueming Sun

Publication type:

Article

The theoretical and experimental study on dicalcium phosphate dehydrate loading with protocatechuic aldehyde.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 7, p. 1187, doi. 10.1007/s00894-009-0617-8

By:

Yuehua Guo;
Shuxin Qu;
Xiong Lu;
Haodong Xie;
Hongping Zhang;
Jie Weng

Publication type:

Article