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journalStr:"Journal of biomolecular structure & dynamics"
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PubPharm (15)
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
Fragment-based structural exploration and chemico-biological interaction study of HDAC3 inhibitors through non-linear pattern recognition, chemical space, and binding mode of interaction analysis
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Banerjee, S.
|
Dumawat, S.
|
Jha, T.
| +3
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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
Development of decision trees to discriminate HDAC8 inhibitors and non-inhibitors using recursive partitioning
enthalten in:
Journal of biomolecular structure & dynamics
| 2021
von
Amin, S.
|
Adhikari, N.
|
Jha, T.
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6
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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7
Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Jain, S.
|
Bhardwaj, B.
|
Amin, S.
| +3
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8
Structural exploration of tetrahydroisoquinoline derivatives as HDAC8 inhibitors through multi-QSAR modeling study
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Banerjee, S.
|
Adhikari, N.
|
Amin, S.
| +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
Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques
enthalten in:
Journal of biomolecular structure & dynamics
| 2019
von
Amin, S.
|
Adhikari, N.
|
Gayen, S.
| +1
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Zeitschrift: Journal of biomolecular structure & dynamics
Medienart
15
Aufsätze
14
E-Artikel
14
E-Ressourcen
1
Gedruckte Aufsätze
Zeitschriftentitel
Journal of biomolecular structure & dynamics
Thema
14
Journal Article
7
QSAR
4
Bayesian classification
4
CoMFA
4
Histone Deacetylase Inhibitors
4
Ligands
4
pharmacophore mapping
3
Bayesian model
3
CoMSIA
3
EC 3.5.1.98
3
Histone Deacetylases
2
Enzyme Inhibitors
2
HDAC3 inhibitor
2
HDAC8 inhibitor
2
HQSAR
2
MD simulation
2
Research Support, Non-U.S. Gov't
2
machine learning
2
recursive partitioning
2
topomer CoMFA
Alle anzeigen ...
weniger ...
Erscheinungszeitraum
9
2020-
6
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
15
Englisch
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