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publishDate:"[2021 TO 2021]"
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PubPharm (7)
1
Ultra-Large-Scale Ab Initio Quantum Chemical Computation of Bio-Molecular Systems: The Case of Spike Protein of SARS-CoV-2 Virus
enthalten in:
chemRxiv.org
| 2021
von
Ching, W.
|
Adhikari, P.
|
Jawad, B.
| +1
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2
Key Interacting Residues Between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamic Simulation and Density Functional Calculation
enthalten in:
chemRxiv.org
| 2021
von
Jawad, B.
|
Adhikari, P.
|
Podgornik, R.
| +1
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3
Ab Initio Electronic Dielectric “Constant” of Proteins: A Baseline for Electrostatic Interaction in Biomolecular Systems
enthalten in:
chemRxiv.org
| 2021
von
Adhikari, P.
|
Podgornik, R.
|
Jawad, B.
| +1
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4
First-Principles Simulation of Dielectric Function in Biomolecules
enthalten in:
Materials (Basel, Switzerland)
| 2021
von
Adhikari, P.
|
Podgornik, R.
|
Jawad, B.
| +1
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5
Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor : Combination of Molecular Dynamics Simulation and Density Functional Calculation
enthalten in:
Journal of chemical information and modeling
| 2021
von
Jawad, B.
|
Adhikari, P.
|
Podgornik, R.
| +1
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6
Electrostatic interactions between the SARS-CoV-2 virus and a charged electret fibre
enthalten in:
Soft matter
| 2021
von
Javidpour, L.
|
BoŽič, A.
|
Naji, A.
| +1
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7
Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems : The case of spike protein of SARS-CoV-2 virus
enthalten in:
Computational and structural biotechnology journal
| 2021
von
Ching, W.
|
Adhikari, P.
|
Jawad, B.
| +1
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1
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Erscheinungsjahr: 2021-2021
Medienart
7
Aufsätze
7
E-Artikel
7
E-Ressourcen
Zeitschriftentitel
3
chemRxiv.org
1
Computational and structural biotechnology journal
1
Journal of chemical information and modeling
1
Materials (Basel, Switzerland)
1
Soft matter
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Thema
4
Journal Article
3
540
3
Chemistry
2
Spike Glycoprotein, Coronavirus
1
Density functional calculation
1
EC 3.4.15.1
1
Electronic structure
1
Interatomic bonding
1
Peptidyl-Dipeptidase A
1
Research Support, U.S. Gov't, Non-P.H.S.
1
SARS-CoV-2 virus
1
Spike-protein
1
Structure refinement
1
ab initio simulation
1
biomolecules
1
dielectric function
1
electrostatic interaction
1
random phase approximation
1
spike protein, SARS-CoV-2
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Erscheinungszeitraum
2021-2021
Erscheinungsjahr(e)
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7
Englisch
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