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Volume 31; Issue 6-7
Main
Molecular Informatics
Volume 31; Issue 6-7
Molecular Informatics
Volume 31; Issue 6-7
1
Computational Insights into ADAMTS4, ADAMTS5 and MMP13 Inhibitor Selectivity
Federico Filomia
,
Puneet Saxena
,
Caterina Durante
,
Francesca de Rienzo
,
Marina Cocchi
,
Maria Cristina Menziani
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 2.24 MB
Your tags:
english, 2012
2
Comparative Occupancy Analysis (CoOAn) – A Straightforward and Directly Applicable 3D-QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent Leads
Jitender Verma
,
Alpeshkumar Malde
,
Santosh Khedkar
,
Evans Coutinho
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 832 KB
Your tags:
english, 2012
3
Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors
Gülşah Çifci
,
Viktorya Aviyente
,
E. Demet Akten
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 12.91 MB
Your tags:
english, 2012
4
Fingerprint Kernels for Protein Structure Comparison
Thomas Fober
,
Marco Mernberger
,
Gerhard Klebe
,
Eyke Hüllermeier
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 889 KB
Your tags:
english, 2012
5
Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors
Subhash Ajmani
,
Sudhir A. Kulkarni
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 1.15 MB
Your tags:
english, 2012
6
QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
Maurizio Di Tullio
,
Cristina Maccallini
,
Alessandra Ammazzalorso
,
Letizia Giampietro
,
Rosa Amoroso
,
Barbara De Filippis
,
Marialuigia Fantacuzzi
,
Paweł Wiczling
,
Roman Kaliszan
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 254 KB
Your tags:
english, 2012
7
Large-Scale QSAR in Target Prediction and Phenotypic HTS Assessment
Jeremy L. Jenkins
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 1.43 MB
Your tags:
english, 2012
8
QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids
I. Oprisiu
,
E. Varlamova
,
E. Muratov
,
A. Artemenko
,
G. Marcou
,
P. Polishchuk
,
V. Kuz'min
,
A. Varnek
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 1.09 MB
Your tags:
english, 2012
9
Nearly no Scoring Function Without a Hansch-Analysis
Nadine Schneider
,
Robert Klein
,
Gudrun Lange
,
Matthias Rarey
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 666 KB
Your tags:
english, 2012
10
Orthogonal PLS (OPLS) Modeling for Improved Analysis and Interpretation in Drug Design
Lennart Eriksson
,
Josefin Rosén
,
Erik Johansson
,
Johan Trygg
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 1.40 MB
Your tags:
english, 2012
11
Cover Picture: (Mol. Inf. 6-7/2012)
Journal:
Molecular Informatics
Year:
2012
File:
PDF, 818 KB
Your tags:
2012
12
Graphical Abstract: Mol. Inf. 6-7/2012
Journal:
Molecular Informatics
Year:
2012
Language:
english
File:
PDF, 1.03 MB
Your tags:
english, 2012
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