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journalStr:"Journal of computer aided molecular design"
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PubPharm (145)
1
The AI-driven Drug Design (AIDD) platform: an interactive multi-parameter optimization system integrating molecular evolution with physiologically based pharmacokinetic simulations
enthalten in:
Journal of computer aided molecular design
| 2024
von
Jones, J.
|
Clark, R.
|
Lawless, M.
| +2
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2
Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation
enthalten in:
Journal of computer aided molecular design
| 2023
von
Xiong, Y.
|
Wang, Y.
|
Wang, Y.
| +6
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3
Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation
enthalten in:
Journal of computer aided molecular design
| 2023
von
Xiong, Y.
|
Wang, Y.
|
Wang, Y.
| +6
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4
Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation
enthalten in:
Journal of computer aided molecular design
| 2023
von
Xiong, Y.
|
Wang, Y.
|
Wang, Y.
| +6
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5
In silico modeling of PAX8–PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity
enthalten in:
Journal of computer aided molecular design
| 2021
von
Sakaguchi, K.
|
Okiyama, Y.
|
Tanaka, S.
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6
In silico modeling of PAX8–PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity
enthalten in:
Journal of computer aided molecular design
| 2021
von
Sakaguchi, K.
|
Okiyama, Y.
|
Tanaka, S.
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7
In silico modeling of PAX8–PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity
enthalten in:
Journal of computer aided molecular design
| 2021
von
Sakaguchi, K.
|
Okiyama, Y.
|
Tanaka, S.
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8
Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters
enthalten in:
Journal of computer aided molecular design
| 2021
von
Ehrman, J.
|
Lim, V.
|
Bannan, C.
| +3
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9
Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters
enthalten in:
Journal of computer aided molecular design
| 2021
von
Ehrman, J.
|
Lim, V.
|
Bannan, C.
| +3
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10
Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters
enthalten in:
Journal of computer aided molecular design
| 2021
von
Ehrman, J.
|
Lim, V.
|
Bannan, C.
| +3
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Zeitschrift: Journal of computer aided molecular design
Medienart
145
Aufsätze
91
E-Artikel
91
E-Ressourcen
54
Gedruckte Aufsätze
Zeitschriftentitel
Journal of computer aided molecular design
Thema
98
Molecular modeling
25
Molecular modelling
15
Molecular dynamics
13
Drug design
12
COSMO-RS
9
Docking
9
Molecular recognition
9
Molecular simulation
8
Molecular docking
7
Electrostatic potential
6
Computational chemistry
6
Force fields
6
Hydration free energy
6
Molecular dynamics simulation
6
Molecular visualization
6
Quantum mechanics
6
Substrate binding
6
molecular modeling
5
Drug discovery
5
High throughput screening
Alle anzeigen ...
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Erscheinungszeitraum
132
2000-
11
1900-1999
Erscheinungsjahr(e)
Von:
Bis:
Sprache
145
Englisch
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