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/vufind/Search/Results?lookfor=%22Interaction+energy%22&type=Subject&sort=year%2C+publishDateDaySort_date+desc%2C+id
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PubPharm (1.185)
1
Hydrocarbon Transportation in Heterogeneous Shale Pores by Molecular Dynamic Simulation
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Sun, S.
|
Gao, M.
|
Liang, S.
| +1
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2
Small molecule activation by sila/germa boryne species
enthalten in:
Journal of computational chemistry
| 2024
von
Karnamkkott, H.
|
Das, S.
|
Mondal, T.
| +1
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3
Benchmarking ANI potentials as a rescoring function and screening FDA drugs for SARS-CoV-2 Mpro
enthalten in:
Journal of computer-aided molecular design
| 2024
von
Zengin, I.
|
Koca, M.
|
Tayfuroglu, O.
| +2
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4
Benchmarking ANI potentials as a rescoring function and screening FDA drugs for SARS-CoV-2 $ M^{pro} $
enthalten in:
Journal of computer aided molecular design
| 2024
von
Zengin, I.
|
Koca, M.
|
Tayfuroglu, O.
| +2
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5
Sensing potential of C6N8 for ammonia (NH3) and nitrogen triflouride (NF3) : A DFT study
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Saleem, U.
|
Jamil, R.
|
Nadeem, H.
| +4
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6
Interfacial residues in protein-protein complexes are in the eyes of the beholder
enthalten in:
Proteins
| 2024
von
Parvathy, J.
|
Yazhini, A.
|
Srinivasan, N.
| +1
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7
Revealing the contradiction between DLVO/XDLVO theory and membrane fouling propensity for oil-in-water emulsion separation
enthalten in:
Journal of hazardous materials
| 2024
von
Zhang, T.
|
Wang, Q.
|
Yang, Y.
| +4
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8
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide : experimental and quantum chemical study
enthalten in:
Acta crystallographica Section B, Structural science, crystal engineering and materials
| 2024
von
Shishkina, S.
|
Shaposhnyk, A.
|
Konovalova, I.
| +2
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9
The Pivotal Distinction between Antagonists' and Agonists' Binding into Dopamine D4 Receptor-MD and FMO/PIEDA Studies
enthalten in:
International journal of molecular sciences
| 2024
von
Śliwa, P.
|
Dziurzyńska, M.
|
Kurczab, R.
| +1
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10
Reliable Dimerization Energies for Modeling of Supramolecular Junctions
enthalten in:
International journal of molecular sciences
| 2024
von
Czernek, J.
|
Brus, J.
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11
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11
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10
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Interaction energy
328
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interaction energy
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100
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53
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52
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47
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33
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33
interaction energies
32
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32
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31
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30
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29
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27
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27
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