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Volume 16; Issue 1
Main
Journal of Molecular Modeling
Volume 16; Issue 1
Journal of Molecular Modeling
Volume 16; Issue 1
1
AM1* parameters for cobalt and nickel
Hakan Kayi
,
Timothy Clark
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 392 KB
Your tags:
english, 2010
2
Kinetoplastid RNA editing ligases 1 and 2 exhibit different electrostatic properties
Alireza Shaneh
,
Reza Salavati
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 2010
3
Explaining the inhibition of cyclin-dependent kinase 5 by peptides derived from p25 with molecular dynamics simulations and MM-PBSA
Vincent B. C. Tan
,
Bing Zhang
,
Kian Meng Lim
,
Tong Earn Tay
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 374 KB
Your tags:
english, 2010
4
Bonding and electronic structures in W@Au12AE complexes (AE= NO+, CO, BF, CN–, or BO–): analogies among ligands isoelectronic to carbon monoxide
Yi Fu
,
Jia Li
,
Shu-Guang Wang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 276 KB
Your tags:
english, 2010
5
Insights derived from molecular dynamics simulation into the molecular motions of serine protease proteinase K
Shu-Qun Liu
,
Zhao-Hui Meng
,
Yun-Xin Fu
,
Ke-Qin Zhang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 507 KB
Your tags:
english, 2010
6
Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking
Tong Li
,
Matheus Froeyen
,
Piet Herdewijn
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 434 KB
Your tags:
english, 2010
7
Generation of a 3D model for human GABA transporter hGAT-1 using molecular modeling and investigation of the binding of GABA
Thomas Wein
,
Klaus T. Wanner
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 329 KB
Your tags:
english, 2010
8
Probing ligand binding modes ofMycobacterium tuberculosisMurC ligase by molecular modeling, dynamics simulation and docking
C. M. Anuradha
,
Chaitanya Mulakayala
,
Banaganapalli Babajan
,
M. Naveen
,
Chikati Rajasekhar
,
Chitta Suresh Kumar
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 421 KB
Your tags:
english, 2010
9
Theoretical and experimental studies of vibrational spectra and thermal analysis of 2-nitroaniline and its cation
Sachidanandam Azhagiri
,
Govindaswamy Ranganathan Ramkumaar
,
Suryanarayan Jayakumar
,
Subramanian Kumaresan
,
Ramadoss Arunbalaji
,
Sethu Gunasekaran
,
Shanmugam Srinivasan
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 152 KB
Your tags:
english, 2010
10
Hemolytic mechanism of dioscin proposed by molecular dynamics simulations
Fu Lin
,
Renxiao Wang
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 872 KB
Your tags:
english, 2010
11
Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization
Isis Rodríguez-Sanchez
,
Erasto Armando Zaragoza-Contreras
,
Daniel Glossman-Mitnik
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 235 KB
Your tags:
english, 2010
12
A theoretical study of red-shifting and blue-shifting hydrogen bonds occurring between imidazolidine derivatives and PEG/PVP polymers
Boaz G. Oliveira
,
Maria C. A. Lima
,
Ivan R. Pitta
,
Suely L. Galdino
,
Marcelo Z. Hernandes
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 258 KB
Your tags:
english, 2010
13
Design and synthesis of thiourea based receptor containing naphthalene as oxalate selective sensor
Nongnit Morakot
,
Wandee Rakrai
,
Somchai Keawwangchai
,
Chatthai Kaewtong
,
Banchob Wanno
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 464 KB
Your tags:
english, 2010
14
Docking and 3D QSAR studies of protoporphyrinogen oxidase inhibitor 3H-pyrazolo[3,4-d][1,2,3]triazin-4-one derivatives
Kunal Roy
,
Somnath Paul
Journal:
Journal of Molecular Modeling
Year:
2010
Language:
english
File:
PDF, 752 KB
Your tags:
english, 2010
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