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Volume 15; Issue 2
Main
Journal of Molecular Modeling
Volume 15; Issue 2
Journal of Molecular Modeling
Volume 15; Issue 2
1
DFT study of a series of crown-4 ethers and their selectivity trend for alkali metal cations: Li+and Na+
Hui Hou
,
Xingye Zeng
,
Xiaoping Liu
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 313 KB
Your tags:
english, 2009
2
The molecular properties of heterocyclic and homocyclic hydrogen-bonded complexes evaluated by DFT calculations and AIM densities
Boaz G. Oliveira
,
Regiane C. M. U. Araújo
,
Antônio B. Carvalho
,
Mozart N. Ramos
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 397 KB
Your tags:
english, 2009
3
An interrupted beta-propeller and protein disorder: structural bioinformatics insights into the N-terminus of alsin
Dinesh C. Soares
,
Paul N. Barlow
,
David J. Porteous
,
Rebecca S. Devon
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 516 KB
Your tags:
english, 2009
4
Accessible haptic technology for drug design applications
Nicola Zonta
,
Ian J. Grimstead
,
Nick J. Avis
,
Andrea Brancale
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 130 KB
Your tags:
english, 2009
5
A theoretical investigation of cytotoxic activity of celastroid triterpenoids
William N. Setzer
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 151 KB
Your tags:
english, 2009
6
Phylogenetic analysis, homology modelling, molecular dynamics and docking studies of caffeoyl–CoA-O- methyl transferase (CCoAOMT 1 and 2) isoforms isolated from subabul (Leucaena leucocephala)
Nataraj Sekhar Pagadala
,
Manish Arha
,
P. S. Reddy
,
Ranadheer Kumar
,
V. L. Sirisha
,
S. Prashant
,
K. Janardhan Reddy
,
Bashir Khan
,
S. K. Rawal
,
P. B. Kavi Kishor
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 1.11 MB
Your tags:
english, 2009
7
Structural studies of shikimate dehydrogenase fromBacillus anthraciscomplexed with cofactor NADP
Guy Barros Barcellos
,
Rafael Andrade Caceres
,
Walter Filgueira de Azevedo
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 658 KB
Your tags:
english, 2009
8
Structures and electron affinities of triatomic molecules consisting of Al, P and X (X = B, Al, Ga; C, Si, Ge; N, P, As; O, S and Se)
Tuoping Hu
,
Congjie Zhang
,
Fude Ren
,
Jun Ren
,
Wenhong Jia
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 204 KB
Your tags:
english, 2009
9
Molecular dynamic simulations of the metallo-beta-lactamase fromBacteroides fragilisin the presence and absence of a tight-binding inhibitor
Freddie R. Salsbury
,
Michael W. Crowder
,
Stephen F. Kingsmore
,
James J. A. Huntley
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 579 KB
Your tags:
english, 2009
10
A disulfide linked model of the complement protein C8γ complexed with C8α indel peptide
Athanassios Stavrakoudis
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 265 KB
Your tags:
english, 2009
11
Modeling ofEscherichia coliEndonuclease V structure in complex with DNA
Karolina A. Majorek
,
Janusz M. Bujnicki
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 595 KB
Your tags:
english, 2009
12
Elucidation of binding mode and three dimensional quantitative structure–activity relationship studies of a novel series of protein kinase B/Akt inhibitors
M. Muddassar
,
F. A. Pasha
,
M. M. Neaz
,
Y. Saleem
,
S. J. Cho
Journal:
Journal of Molecular Modeling
Year:
2009
Language:
english
File:
PDF, 334 KB
Your tags:
english, 2009
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