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Volume 16; Issue 2
Main
Journal of Molecular Modeling
Volume 16; Issue 2
Journal of Molecular Modeling
Volume 16; Issue 2
1
Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design
Chunquan Sheng
,
Shuanghong Chen
,
Haitao Ji
,
Guoqiang Dong
,
Xiaoyin Che
,
Wenya Wang
,
Zhenyuan Miao
,
Jianzhong Yao
,
Jiaguo Lü
,
Wei Guo
,
Wannian Zhang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 322 KB
Your tags:
english, 2010
2
Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors
Xiao-Yun Lu
,
Ya-Dong Chen
,
Ni-yue Sun
,
Yong-Jun Jiang
,
Qi-Dong You
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 344 KB
Your tags:
english, 2010
3
3D-QSAR study of c-Src kinase inhibitors based on docking
Ran Cao
,
Na Mi
,
Huabei Zhang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 480 KB
Your tags:
english, 2010
4
Structural analysis and the effect of cyclo(His–Pro) dipeptide on neurotoxins—a dynamics and density functional theory study
Angamuthu Abiram
,
Ponmalai Kolandaivel
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 390 KB
Your tags:
english, 2010
5
Variation of reaction dynamics for OH hydrogen abstraction from glycine betweenab initiolevels of theory
Ren-Jie Lin
,
Chen-Chang Wu
,
Soonmin Jang
,
Feng-Yin Li
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 204 KB
Your tags:
english, 2010
6
New vistas in GPCR 3D structure prediction
Anwar Rayan
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 443 KB
Your tags:
english, 2010
7
In silico QSAR studies of anilinoquinolines as EGFR inhibitors
Farhan Ahmad Pasha
,
Muhammad Muddassar
,
Anil Kumar Srivastava
,
Seung Joo Cho
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 329 KB
Your tags:
english, 2010
8
An analysis of hydrophobic interactions of thymidylate synthase with methotrexate: Free energy calculations involving mutant and native structures bound to methotrexate
Ramirededy Nageswara Reddy
,
Ravichandra Reddy Mutyala
,
Polamarasetty Aparoy
,
Pallu Reddanna
,
Mutyala Rami Reddy
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 173 KB
Your tags:
english, 2010
9
Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigation
Saowapak Kaenkaew
,
Ornchuree Sae-Khow
,
Vithaya Ruangpornvisuti
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 694 KB
Your tags:
english, 2010
10
Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments
Petr Kovář
,
Miroslav Pospíšil
,
Eva Káfuňková
,
Kamil Lang
,
František Kovanda
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 538 KB
Your tags:
english, 2010
11
Superimposition of protein structures with dynamically weighted RMSD
Di Wu
,
Zhijun Wu
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 533 KB
Your tags:
english, 2010
12
Density functional computational studies on (E)-2-[(2-Hydroxy-5-nitrophenyl)-iminiomethyl]-4-nitrophenolate
Hasan Tanak
,
Metin Yavuz
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 289 KB
Your tags:
english, 2010
13
Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls
Lorentz Jäntschi
,
Sorana D. Bolboacă
,
Radu E. Sestraş
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 255 KB
Your tags:
english, 2010
14
Molecule design and screening of novel unsymmetrical zinc phthalocyanine sensitizers for dye-sensitized solar cells
Hongji Cui
,
Ruimin Ma
,
Ping Guo
,
Qinghua Zeng
,
Guoqun Liu
,
Xianxi Zhang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 269 KB
Your tags:
english, 2010
15
Theoretical description of bonding incis-W(CO)4(piperidine)2and its dimer
Mariusz P. Mitoraj
,
Artur Michalak
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 206 KB
Your tags:
english, 2010
16
Cancer-relevant biochemical targets of cytotoxicLonchocarpusflavonoids: A molecular docking analysis
Caitlin E. Cassidy
,
William N. Setzer
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 738 KB
Your tags:
english, 2010
17
A study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modeling
Feng-Ling Cui
,
Ying-Hua Yan
,
Qiang-Zhai Zhang
,
Gui-Rong Qu
,
Juan Du
,
Xiao-Jun Yao
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 261 KB
Your tags:
english, 2010
18
Factor analysis of microbiological activity data and structural parameters of antibacterial quinolones
Marcin Koba
,
Tomasz Bączek
,
Katarzyna Macur
,
Leszek Bober
,
Teresa Frąckowiak
,
Adam Buciński
,
Danuta Rystok-Grabska
,
Jolanta Stasiak
,
Katarzyna Koba
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 196 KB
Your tags:
english, 2010
19
Efficient conformational sampling of multiconformational cyclic molecules: application to 1,4,7,10,13-Pentaoxacyclopentadecane
Bulusu Jagannadh
,
Kondalu R. Dharshna Priya
,
Laveti Chandini Devi
,
Gopiparthi Kranthi Sri
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 202 KB
Your tags:
english, 2010
20
An experimental and theoretical approach to the molecular structure of 2-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]thiazol-2-yl}isoindoline-1,3-dione
Namık Özdemir
,
Muharrem Dinçer
,
Alaaddin Çukurovalı
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 378 KB
Your tags:
english, 2010
21
Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid
Nieves C. Comelli
,
Patricio Fuentealba
,
Eduardo A. Castro
,
Alicia H. Jubert
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 722 KB
Your tags:
english, 2010
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