Works matching IS 16102940 AND DT 2010 AND VI 16 AND IP 10

Results: 10

In silico point mutation and evolutionary trace analysis applied to nicotinic acetylcholine receptors in deciphering ligand-binding surfaces.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1651, doi. 10.1007/s00894-010-0670-3

By:

Parthiban, Marimuthu;
Shanmughavel, Piramanayagam;
Sowdhamini, Ramanathan

Publication type:

Article

Investigation on the micro-mechanisms of Al interfering the reactivities of aspartic acid and its biological processes with Mg.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1639, doi. 10.1007/s00894-010-0676-x

By:

Fan, Jian;
He, Liang;
Liu, Jian;
Tang, Min

Publication type:

Article

Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1597, doi. 10.1007/s00894-010-0667-y

By:

Roy, Partha;
Roy, Kunal

Publication type:

Article

Pharmacophore mapping of arylamino-substituted benzo[b]thiophenes as free radical scavengers.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1585, doi. 10.1007/s00894-010-0661-4

By:

Mitra, Indrani;
Saha, Achintya;
Roy, Kunal

Publication type:

Article

Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1617, doi. 10.1007/s00894-010-0671-2

By:

Inerbaev, Talgat;
Seal, Sudipta;
Masunov, Artëm

Publication type:

Article

Contribution of charged and polar residues for the formation of the E1–E2 heterodimer from Hepatitis C Virus.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1625, doi. 10.1007/s00894-010-0672-1

By:

Jusoh, Siti;
Welsch, Christoph;
Siu, Shirley;
Böckmann, Rainer;
Helms, Volkhard

Publication type:

Article

Effects of the V82A and I54V mutations on the dynamics and ligand binding properties of HIV-1 protease.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1577, doi. 10.1007/s00894-010-0677-9

By:

Dirauf, Pia;
Meiselbach, Heike;
Sticht, Heinrich

Publication type:

Article

Many-body energies during proton transfer in an aqueous system.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1559, doi. 10.1007/s00894-010-0675-y

By:

Chaudhari, Ajay;
Meraj, Gul;
Lee, Shyi-Long

Publication type:

Article

Relationship between structure and entropy contributions in an anthraquinone mercapto derivative.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1549, doi. 10.1007/s00894-010-0654-3

By:

Roman, Maciej;
Kaczor, Agnieszka;
Baranska, Malgorzata

Publication type:

Article

Study of a structurally similar kappa opioid receptor agonist and antagonist pair by molecular dynamics simulations.

Published in:

Journal of Molecular Modeling, 2010, v. 16, n. 10, p. 1567, doi. 10.1007/s00894-010-0678-8

By:

Kolinski, Michal;
Filipek, Slawomir

Publication type:

Article