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Volume 37; Issue 15
Main
Molecular Simulation
Volume 37; Issue 15
Molecular Simulation
Volume 37; Issue 15
1
Density functional theory and ab initio studies of vibrational spectra of 2-bis (2-chloroethyl) aminoperhydro-1,3,2-oxazaphosphorinane-2-oxide
Muthu, S.
,
Sheela, N. R.
,
Sampathkrishnan, S.
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 266 KB
Your tags:
english, 2011
2
Role of invariant water molecules in retaining the active site geometry of β-lactamase: a molecular dynamics simulation study
Dileep, K. V.
,
Tintu, I.
,
Vinod, N. V.
,
Saliha, P. P.
,
Sadasivan, C.
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 502 KB
Your tags:
english, 2011
3
Computational structure characterisation tools in application to ordered and disordered porous materials
Sarkisov, Lev
,
Harrison, Alex
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 600 KB
Your tags:
english, 2011
4
Experimental and molecular simulation investigation of interaction between acyclovir and bovine serum albumin
Gong, Qiao-Ling
,
Hu, Xin-Gen
,
Fang, Guo-Yong
,
Zhang, He-Juan
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 558 KB
Your tags:
english, 2011
5
Editorial Board
Journal:
Molecular Simulation
Year:
2011
File:
PDF, 234 KB
Your tags:
2011
6
Molecular dynamics modelling of tethered organics in confined spaces
Waksburg, Avi
,
Nguyen, My-Huong T.
,
Chaffee, Alan L.
,
Kidder, Michelle K.
,
Buchanan, A. C.
,
Britt, Phillip F.
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 1.45 MB
Your tags:
english, 2011
7
The use of ladder particle swarm optimisation for quantitative structure–activity relationship analysis of human immunodeficiency virus-1 integrase inhibitors
Jalali-Heravi, Mehdi
,
Ebrahimi-Najafabadi, Heshmatollah
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 311 KB
Your tags:
english, 2011
8
Explanation of enantioseparation of amino acid derivatives in gas chromatography
Zhu, Huaiqin
,
Ji, Peijun
,
Feng, Wei
Journal:
Molecular Simulation
Year:
2011
Language:
english
File:
PDF, 1.35 MB
Your tags:
english, 2011
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