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PubPharm (22)
1
A combined ligand-based and structure-based in silico molecular modeling approach to pinpoint the key structural attributes of hydroxamate derivatives as promising meprin β inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Jana, S.
|
Banerjee, S.
|
Baidya, S.
| +3
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2
Fragment-based investigation of thiourea derivatives as VEGFR-2 inhibitors : a cross-validated approach of ligand-based and structure-based molecular modeling studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Banerjee, S.
|
Kejriwal, S.
|
Ghosh, B.
| +3
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3
Development and validation of machine learning models for the prediction of SH-2 containing protein tyrosine phosphatase 2 inhibitors
enthalten in:
Molecular diversity
| 2023
von
Adhikari, N.
|
Ayyannan, S.
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4
Employing comparative QSAR techniques for the recognition of dibenzofuran and dibenzothiophene derivatives toward MMP-12 inhibition
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Tamang, J.
|
Banerjee, S.
|
Baidya, S.
| +3
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5
Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors : An analysis in light of structure-based multi-molecular modeling evidences
enthalten in:
Journal of molecular structure
| 2022
von
Adhikari, N.
|
Banerjee, S.
|
Baidya, S.
| +2
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6
Ligand-based design of anticancer MMP2 inhibitors : a review
enthalten in:
Future medicinal chemistry
| 2021
von
Sanyal, S.
|
Amin, S.
|
Adhikari, N.
| +1
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7
Ligand-based design of anticancer MMP2 inhibitors: a review
enthalten in:
Future medicinal chemistry
| 2021
von
Sanyal, S.
|
Amin, S.
|
Adhikari, N.
| +1
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8
Essential elements regulating HDAC8 inhibition : a classification based structural analysis and enzyme-inhibitor interaction study of hydroxamate based HDAC8 inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Banerjee, S.
|
Amin, S.
|
Adhikari, N.
| +1
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9
Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition : identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Jain, S.
|
Amin, S.
|
Adhikari, N.
| +2
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10
Designing potential HDAC3 inhibitors to improve memory and learning
enthalten in:
Journal of biomolecular structure & dynamics
| 2019
von
Amin, S.
|
Adhikari, N.
|
Jha, T.
| +1
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Thema: QSAR
Medienart
22
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20
E-Artikel
20
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2
Gedruckte Aufsätze
Zeitschriftentitel
7
Journal of biomolecular structure & dynamics
6
Structural chemistry
3
Future medicinal chemistry
1
Bioorganic & medicinal chemistry
1
Current drug discovery technologies
1
European journal of medicinal chemistry
1
Journal of molecular structure
1
Molecular diversity
1
Toxicology in vitro : an international journal ...
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Thema
QSAR
15
Journal Article
5
CoMSIA
5
HQSAR
4
Bayesian classification
4
CoMFA
4
Cytotoxicity
4
EC 3.5.1.98
4
Histone Deacetylase Inhibitors
4
Histone Deacetylases
4
Machine learning
4
Phenylindole
4
QAAR
4
Research Support, Non-U.S. Gov't
4
cancer
3
Antineoplastic Agents
3
Bayesian model
3
Glutamate
3
Ligands
3
MMP-2
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Erscheinungszeitraum
9
2020-
13
2010-2019
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22
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