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Volume 10; Issue 1
Main
Journal of Molecular Modeling
Volume 10; Issue 1
Journal of Molecular Modeling
Volume 10; Issue 1
1
An ab initio study of di- and trifluorobenzene–benzene complexes as relevant to carbonic anhydrase II–drug interactions
PoojaP. Chandra
,
Ahamindra Jain
,
Anne-Marie Sapse
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 225 KB
Your tags:
english, 2004
2
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation
James J. P. Stewart
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 196 KB
Your tags:
english, 2004
3
Structures and stability of N13+and N13−clusters
PengGang Yin
,
QianShu Li
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 376 KB
Your tags:
english, 2004
4
2-Chloro-2′-deoxyadenosine: alteration of DNA:TATA element binding protein (TBP) interactions
TheodoreT. Foley
,
Patricia Hentosh
,
D.Eric Walters
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 452 KB
Your tags:
english, 2004
5
Use of Ψα-ETOs in the unified treatment of electronic attraction, electric field and electric field gradient multicenter integrals of screened Coulomb potentials over Slater orbitals
Israfil Guseinov
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 225 KB
Your tags:
english, 2004
6
Active site modeling in copper azurin molecular dynamics simulations
Bruno Rizzuti
,
Marcel Swart
,
Luigi Sportelli
,
Rita Guzzi
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 298 KB
Your tags:
english, 2004
7
Conformational preferences of 1,4,7-trithiacyclononane: a molecular mechanics and density functional theory study
Bulusu Jagannadh
,
SurasaniSumathi Reddy
,
RamagounderP. Thangavelu
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 175 KB
Your tags:
english, 2004
8
Density functional and docking studies of retinoids for cancer treatment
CarlosH.T.P. Silva
,
Paulo Almeida
,
CarltonA. Taft
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 352 KB
Your tags:
english, 2004
9
Structure-based method for analyzing protein–protein interfaces
Ying Gao
,
Renxiao Wang
,
Luhua Lai
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 412 KB
Your tags:
english, 2004
10
Improvement of comparative modeling by the application of conserved motifs amongst distantly related proteins as additional restraints
Saikat Chakrabarti
,
Jaisurya John
,
Ramanathan Sowdhamini
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 427 KB
Your tags:
english, 2004
11
Molecular dynamics simulation of hepatitis C virus IRES IIId domain: structural behavior, electrostatic and energetic analysis
Jérôme Golebiowski
,
Serge Antonczak
,
Audrey Di-Giorgio
,
Roger Condom
,
Daniel Cabrol-Bass
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 388 KB
Your tags:
english, 2004
12
Alfio Quarteroni, Fausto Saleri: Scientific Computing with MATLAB. Volume 2 of the series Timothy J. Barth, Michael Griebel, David E. Keyes, Risto M. Nieminen, Dirk Roose, Tamar Schlick (Eds): Texts in Computational Science and Engineering
AnselmH.C. Horn
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 125 KB
Your tags:
english, 2004
13
A quantitative structure–antifungal activity relationship study of oxygenated aromatic essential oil compounds using data structuring and PLS regression analysis
Karmen Voda
,
Bojana Boh
,
Margareta Vrtačnik
Journal:
Journal of Molecular Modeling
Year:
2004
Language:
english
File:
PDF, 292 KB
Your tags:
english, 2004
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