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topic_facet:"virtual screening"
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PubPharm (22)
1
A Computational Investigation on Chitosan Derivatives using Pharmacophore- based Screening, Molecular Docking, and Molecular Dynamics Simulations against Kaposi Sarcoma
enthalten in:
Current computer-aided drug design
| 2024
von
Sakthivel, K.
|
Ganapathy, P.
|
Chandrasekaran, K.
| +2
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2
Structure-based Virtual Screening and Molecular Dynamic Simulation Approach for the Identification of Terpenoids as Potential DPP-4 Inhibitors
enthalten in:
Current computer-aided drug design
| 2024
von
Pulikkottil, A.
|
Kumar, A.
|
Jangid, K.
| +2
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3
Development of Potential Inhibitors for Human T-lymphotropic Virus Type I Integrase Enzyme : A Molecular Modeling Approach
enthalten in:
Current computer-aided drug design
| 2024
von
Jalili-Nik, M.
|
Soltani, A.
|
Hashemy, S.
| +5
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4
Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer
enthalten in:
Current computer-aided drug design
| 2023
von
Pandey, K.
|
Bharat Lokhande, K.
|
Saha, A.
| +3
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5
Identification of Potential Inhibitors of PDE5 based on Structure-based Virtual Screening Approaches
enthalten in:
Current computer-aided drug design
| 2023
von
Xu, L.
|
Sun, L.
|
Su, P.
| +4
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6
Identification of Pim-1 Kinase Inhibitors by Pharmacophore Model, Molecular Docking-based Virtual Screening, and Biological Evaluation
enthalten in:
Current computer-aided drug design
| 2022
von
Huang, J.
|
Yuan, Y.
|
Zhu, X.
| +4
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7
Identification of Novel Cyclin A2 Binding Site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex
enthalten in:
Current computer-aided drug design
| 2021
von
Kim, S.
|
Alves, M.
|
Gygli, P.
| +2
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8
Fragment-based Discovery of Potential Anticancer Lead : Computational and in vitro Studies
enthalten in:
Current computer-aided drug design
| 2021
von
Balgoname, A.
|
Alomair, S.
|
AlMubirek, A.
| +1
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9
Identification of Antimycobacterial Agent Using In Silico Virtual Screening, ADME Prediction, Docking, and Molecular Dynamics Simulations Approach
enthalten in:
Current computer-aided drug design
| 2021
von
Tripathy, S.
|
Sahu, S.
|
Azam, M.
| +3
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10
Combined CADD and Virtual Screening to Identify Novel Nonpeptidic Falcipain-2 Inhibitors
enthalten in:
Current computer-aided drug design
| 2021
von
Rajguru, T.
|
Bora, D.
|
Modi, M.
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Thema: virtual screening
Medienart
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Zeitschriftentitel
22
Current computer-aided drug design
Thema
22
Journal Article
virtual screening
6
molecular docking
4
Antineoplastic Agents
4
Enzyme Inhibitors
4
Protein Kinase Inhibitors
4
docking
3
EC 2.7.10.1
3
molecular dynamics simulation
3
pharmacophore
2
ADMET
2
Anti-Bacterial Agents
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Antimalarials
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J41CSQ7QDS
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Ligands
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MM-GBSA
2
QSAR
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Zinc
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antibacterial agents
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inhibitor
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Erscheinungszeitraum
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2020-
4
2010-2019
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22
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