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PubPharm (97)
1
Molecular Dynamics Simulation of SARS-CoV-2 E Ion Channel : The Study of Lone Protein and its Conformational Changes in Complex with Potential Cage Inhibitors
enthalten in:
Current computer-aided drug design
| 2024
von
Shiryaev, V.
|
Ivleva, E.
|
Zaborskaya, M.
| +3
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2
Design, Synthesis, Antitumor Activity Evaluation, and Molecular Dynamics Simulation of Some 2-Aminopyrazine Derivatives
enthalten in:
Current computer-aided drug design
| 2024
von
Cui, H.
|
Zhang, R.
|
Xiong, X.
| +5
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3
Exploration of Fingerprints and Data Mining-based Prediction of Some Bioactive Compounds from Allium sativum as Histone Deacetylase 9 (HDAC9) Inhibitors
enthalten in:
Current computer-aided drug design
| 2024
von
Das, T.
|
Bhattacharya, A.
|
Jha, T.
| +1
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4
AI-based Virtual Screening of Traditional Chinese Medicine and the Discovery of Novel Inhibitors of TCTP
enthalten in:
Current computer-aided drug design
| 2024
von
Bai, J.
|
Ni, Y.
|
Zhang, Y.
| +6
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5
Computational Study of Antimicrobial Peptides for Promising Therapeutic Applications Against Methicillin-resistant Staphylococcus Aureus
enthalten in:
Current computer-aided drug design
| 2024
von
Sinoliya, P.
|
Solanki, P.
|
Niraj, R.
| +1
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6
Investigation on the Anticancer Activity of [6]-Gingerol of Zingiber officinale and its Structural Analogs against Skin Cancer
enthalten in:
Current computer-aided drug design
| 2024
von
Adikesavan, M.
|
Athiraja, P.
|
Divakar, M.
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7
Graph Convolutional Capsule Regression (GCCR) : A Model for Accelerated Filtering of Novel Potential Candidates for SARS-CoV-2 based on Binding Affinity
enthalten in:
Current computer-aided drug design
| 2024
von
Krishnan, A.
|
Vinod, D.
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8
Exploring the Molecular Mechanism of HongTeng Decoction against Inflammation based on Network Analysis and Experiments Validation
enthalten in:
Current computer-aided drug design
| 2024
von
Yang, Y.
|
Bi, C.
|
Li, B.
| +7
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9
Network Pharmacology and Intestinal Microbiota Analysis Revealing the Mechanism of Punicalagin Improving Bacterial Enteritis
enthalten in:
Current computer-aided drug design
| 2024
von
Huang, S.
|
Wang, Y.
|
Zhu, Q.
| +3
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10
DFT, Molecular Docking, Bioactivity and ADME Analyses of Vic-dioxim Ligand Containing Hydrazone Group and its Zn(II) Complex
enthalten in:
Current computer-aided drug design
| 2024
von
Gökçe Çalişkan, .
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Medienart: E-Ressourcen
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Thema: molecular docking
Medienart
97
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97
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Zeitschriftentitel
97
Current computer-aided drug design
Thema
97
Journal Article
molecular docking
17
network pharmacology
11
Antineoplastic Agents
10
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9
molecular dynamics
8
molecular dynamics simulation
7
Antitubercular Agents
7
EC 2.7.11.1
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Protein Kinase Inhibitors
6
ADMET
6
EC 2.7.10.1
6
SARS-CoV-2
6
virtual screening
5
Anti-Bacterial Agents
5
DFT
5
Plant Extracts
5
breast cancer
5
pharmacophore
4
ADME
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Erscheinungszeitraum
83
2020-
14
2010-2019
Erscheinungsjahr(e)
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Sprache
97
Englisch
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