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Volume 12; Issue 2
Main
Journal of Molecular Modeling
Volume 12; Issue 2
Journal of Molecular Modeling
Volume 12; Issue 2
1
A fold-recognition approach to loop modeling
Christer Levefelt
,
Dan Lundh
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 507 KB
Your tags:
english, 2006
2
An ab initio study of the guanidinium groups in saxitoxin
Anne-Marie Sapse
,
Robert Rothchild
,
Kyu Rhee
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 277 KB
Your tags:
english, 2006
3
Theoretical study of DHEA: comparative HF and DFT calculations of the electronic properties of a complex between DHEA and serotonin
Dan A. Lerner
,
Josette Weinberg
,
Fanica Cimpoesu
,
Constantin Balaceanu-Stolnici
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 288 KB
Your tags:
english, 2006
4
Ordering ofp–n-alkoxybenzoic acids at phase transition temperatures: a comparative computational analysis
Narayanan Ajeetha
,
Durga Prasad Ojha
,
Venkata Gopala Krishna Murthy Pisipati
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 456 KB
Your tags:
english, 2006
5
A computational analysis of ordering in ABCHN at the nematic–isotropic transition
Durga Prasad Ojha
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 339 KB
Your tags:
english, 2006
6
Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks
Julio Caballero
,
Michael Fernández
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 415 KB
Your tags:
english, 2006
7
Ab initio computational insight into the ion-pair SN2 reaction of lithium isothiocyanate and methyl fluoride in the gas phase and in acetone solution
Yi Ren
,
Ming Li
,
Ning-Bew Wong
,
San-Yan Chu
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 486 KB
Your tags:
english, 2006
8
The reaction of the aminoboranylidene-iminoborane isomerization: a CASSCF direct dynamics study
Jian-Guo Zhang
,
Qian Shu Li
,
Shao-Wen Zhang
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 338 KB
Your tags:
english, 2006
9
Role of hydrophobic interactions and salt-bridges in β-hairpin folding
Aswin Sai Narain Seshasayee
,
Krishnan Raghunathan
,
Karthikeyan Sivaraman
,
Gautam Pennathur
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 491 KB
Your tags:
english, 2006
10
Syn- andanti-conformations of 5′-deoxy- and 5′-O-methyl-uridine 2′,3′-cyclic monophosphate
Tomasz Grabarkiewicz
,
Marcin Hoffmann
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 371 KB
Your tags:
english, 2006
11
Numerical treatment of two-center overlap integrals
Hassan Safouhi
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 346 KB
Your tags:
english, 2006
12
DFT study of the gas phase proton transfer in guanine assisted by water, methanol, and hydrogen peroxide
Vassil B. Delchev
,
Hans Mikosch
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 593 KB
Your tags:
english, 2006
13
Three-dimensional structure of the catalytic domain of the yeast β-(1,3)-glucan transferase Gas1: a molecular modeling investigation
Elena Papaleo
,
Piercarlo Fantucci
,
Marina Vai
,
Luca De Gioia
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 1009 KB
Your tags:
english, 2006
14
Ab initio construction of all-atom loop conformations
Haiyan Jiang
,
Christian Blouin
Journal:
Journal of Molecular Modeling
Year:
2006
Language:
english
File:
PDF, 471 KB
Your tags:
english, 2006
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