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/vufind/Search/Results?lookfor=%22Molecular+Dynamics+Simulation%22&type=Subject&filter%5B%5D=topic_facet%3A%22molecular+dynamics+simulations%22
/vufind/Search/Results?lookfor=%22Molecular+Dynamics+Simulation%22&type=Subject&filter%5B%5D=topic_facet%3A%22molecular+dynamics+simulations%22
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PubPharm (2.306)
1
Identification of the potassium-binding site in serotonin transporter
enthalten in:
Proceedings of the National Academy of Sciences of the United States of America
| 2024
von
Hellsberg, E.
|
Boytsov, D.
|
Chen, Q.
| +6
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2
A Theoretical Study of Oxygen Anion Diffusion through the A-Site Deficient SrTiO3 Lattice Structure : A Machine Learning Approach
enthalten in:
ACS applied materials & interfaces
| 2024
von
Sharma, K.
|
Gade, H.
|
Kumari, N.
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3
Heterogeneous and Cooperative Rupture of Histidine-Ni2+ Metal-Coordination Bonds on Rationally Designed Protein Templates
enthalten in:
ACS biomaterials science & engineering
| 2024
von
Khare, E.
|
Gonzalez Obeso, C.
|
Martín-Moldes, Z.
| +5
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4
Sampling Real-Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning
enthalten in:
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
| 2024
von
Cioni, M.
|
Delle Piane, M.
|
Polino, D.
| +6
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5
Comprehensive in silico analysis of prolactin receptor (PRLR) gene nonsynonymous single nucleotide polymorphisms (nsSNPs) reveals multifaceted impact on protein structure, function, and interactions
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Hoda, A.
|
Berisha, B.
|
Bixheku, X.
| +1
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6
Solvent Isotherms and Structural Transitions in Nanoparticle Superlattice Assembly
enthalten in:
Nano letters
| 2024
von
Missoni, L.
|
Upah, A.
|
Zaldívar, G.
| +2
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7
Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Wang, J.
|
Yang, W.
|
Zhao, L.
| +2
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8
Structural and Vibrational Properties of Carboxylates Intercalated into Layered Double Hydroxides : A Joint Computational and Experimental Study
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Porwal, V.
|
André, E.
|
Carof, A.
| +3
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9
Physical Regimes and Mechanisms of Picosecond Laser Fragmentation of Gold Nanoparticles in Water from X-ray Probing and Atomistic Simulations
enthalten in:
ACS nano
| 2024
von
Plech, A.
|
Tack, M.
|
Huang, H.
| +7
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10
Molecular mechanism underlying SNARE-mediated membrane fusion enlightened by all-atom molecular dynamics simulations
enthalten in:
Proceedings of the National Academy of Sciences of the United States of America
| 2024
von
Rizo, J.
|
Sari, L.
|
Jaczynska, K.
| +2
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Thema: molecular dynamics simulations
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Journal of biomolecular structure & dynamics
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Angewandte Chemie (International ed. in English)
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Structure (London, England : 1993)
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molecular dynamics simulations
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molecular docking
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virtual screening
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