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topic_facet:"molecular dynamics"
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/vufind/Search/Results?lookfor=%22molecular+modeling%22&type=Subject&filter%5B%5D=topic_facet%3A%22molecular+dynamics%22
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PubPharm (217)
1
In silico design, synthesis and antitubercular activity of novel 2-acylhydrazono-5-arylmethylene-4-thiazolidinones as enoyl-acyl carrier protein reductase inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Dingiş Birgül, S.
|
Kumari, J.
|
Tamhaev, R.
| +5
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2
Molecular modeling of ARF6 dysregulation caused by mutations in IQSEC2
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Shokhen, M.
|
Walikonis, R.
|
Uversky, V.
| +5
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3
Editorial : Molecular level atomistic and structural insights on biological macromolecules, inhibition, and dynamics studies
enthalten in:
Frontiers in molecular biosciences
| 2024
von
Selvaraj, C.
|
Pedone, E.
|
Lee, J.
| +1
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4
Two-Stage Recognition Mechanism of the SARS-CoV-2 Receptor-Binding Domain to Angiotensin-Converting Enzyme-2 (ACE2)
enthalten in:
International journal of molecular sciences
| 2024
von
Biskupek, I.
|
Gieldon, A.
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5
Two-Stage Recognition Mechanism of the SARS-CoV-2 Receptor-Binding Domain to Angiotensin-Converting Enzyme-2 (ACE2)
in:
International Journal of Molecular Sciences
| 2024
von
Iga Biskupek
|
Artur Gieldon
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6
Editorial: Molecular level atomistic and structural insights on biological macromolecules, inhibition, and dynamics studies
in:
Frontiers in Molecular Biosciences
| 2024
von
Chandrabose Selvaraj
|
Emilia Pedone
|
Jung-Kul Lee
| +1
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7
Deciphering specificity and cross-reactivity in tachykinin NK1 and NK2 receptors
enthalten in:
The Journal of biological chemistry
| 2023
von
Madsen, J.
|
Petersen, J.
|
Christensen, D.
| +4
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8
Predicting the duration of action of β2-adrenergic receptor agonists : Ligand and structure-based approaches
enthalten in:
Molecular informatics
| 2023
von
Chiesa, L.
|
Sick, E.
|
Kellenberger, E.
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9
Statistical Mechanics Metrics in Pairing and Parsing In Silico and Phenotypic Data of a Novel Genetic NFκB1 (c.T638A) Variant
enthalten in:
Genes
| 2023
von
Chaudhri, E.
|
Abbott, J.
|
Islam, N.
| +7
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10
Investigation of the tight binding mechanism of a new anticoagulant DD217 to factor Xa by means of molecular docking and molecular dynamics
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Shulga, D.
|
Tserkovnikova, N.
|
Tarasov, D.
| +1
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Thema: molecular dynamics
Medienart
217
Aufsätze
191
E-Artikel
191
E-Ressourcen
26
Gedruckte Aufsätze
Zeitschriftentitel
23
The Journal of biological chemistry
10
Journal of biomolecular structure & dynamics
8
International journal of molecular sciences
7
Chemistry (Weinheim an der Bergstrasse, Germany)
7
International Journal of Molecular Sciences
7
Journal of computational chemistry
7
Molecules
7
Molecules (Basel, Switzerland)
6
Proteins
5
ChemMedChem
5
Frontiers in pharmacology
5
Journal of pharmaceutical sciences
4
Biomolecules
4
Chemical papers
4
Chemistry - a European journal
4
Chemphyschem : a European journal of chemical p...
4
Frontiers in chemistry
4
Future medicinal chemistry
4
Moscow University biological sciences bulletin
3
Frontiers in Chemistry
Alle anzeigen ...
weniger ...
Thema
molecular dynamics
172
molecular modeling
138
Journal Article
49
Research Support, Non-U.S. Gov't
30
molecular modelling
20
Review
17
Ligands
15
Research Support, N.I.H., Extramural
13
docking
12
Chemistry
12
drug design
11
Research Support, U.S. Gov't, Non-P.H.S.
10
molecular docking
9
Biology (General)
7
MD
7
Organic chemistry
7
enzyme catalysis
6
DNA
6
Proteins
6
computational chemistry
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Erscheinungszeitraum
216
2000-
1
1900-1999
Erscheinungsjahr(e)
Von:
Bis:
Sprache
214
Englisch
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