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Accurate Binding Configuration Prediction of a G‑Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking
Accurate Binding Configuration Prediction of a G‑Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking
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Accurate Binding Configuration Prediction of a G‑Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking

Bekker, Gert-Jan ; Araki, Mitsugu ; Oshima, Kanji ; Okuno, Yasushi ; Kamiya, Narutoshi

Journal of chemical information and modeling, 2021-10, Vol.61 (10), p.5161-5171 [Periódico revisado por pares]

Washington: American Chemical Society

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2
Action-FRET of a Gaseous Protein
Action-FRET of a Gaseous Protein
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Action-FRET of a Gaseous Protein

Daly, Steven ; Knight, Geoffrey ; Halim, Mohamed Abdul ; Kulesza, Alexander ; Choi, Chang Min ; Chirot, Fabien ; MacAleese, Luke ; Antoine, Rodolphe ; Dugourd, Philippe

Journal of the American Society for Mass Spectrometry, 2017-01, Vol.28 (1), p.38-49 [Periódico revisado por pares]

New York: Springer US

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3
Adsorption kinetic of myoglobin on mica and silica – Role of electrostatic interactions
Adsorption kinetic of myoglobin on mica and silica – Role of electrostatic interactions
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Adsorption kinetic of myoglobin on mica and silica – Role of electrostatic interactions

Nattich-Rak, Małgorzata ; Pomorska, Agata ; Batys, Piotr ; Adamczyk, Zbigniew

Colloids and surfaces, B, Biointerfaces, 2021-02, Vol.198, p.111436-111436, Article 111436 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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4
Alchemical prediction of hydration free energies for SAMPL
Alchemical prediction of hydration free energies for SAMPL
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Alchemical prediction of hydration free energies for SAMPL

Mobley, David L. ; Liu, Shaui ; Cerutti, David S. ; Swope, William C. ; Rice, Julia E.

Journal of computer-aided molecular design, 2012-05, Vol.26 (5), p.551-562 [Periódico revisado por pares]

Dordrecht: Springer Netherlands

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5
Amphiphilic Gold Nanoparticles: A Biomimetic Tool to Gain Mechanistic Insights into Peptide-Lipid Interactions
Amphiphilic Gold Nanoparticles: A Biomimetic Tool to Gain Mechanistic Insights into Peptide-Lipid Interactions
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Amphiphilic Gold Nanoparticles: A Biomimetic Tool to Gain Mechanistic Insights into Peptide-Lipid Interactions

Canepa, Ester ; Relini, Annalisa ; Bochicchio, Davide ; Lavagna, Enrico ; Mescola, Andrea

Membranes (Basel), 2022-06, Vol.12 (7), p.673 [Periódico revisado por pares]

Basel: MDPI AG

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6
Analysis of food samples made easy by microextraction technologies directly coupled to mass spectrometry
Analysis of food samples made easy by microextraction technologies directly coupled to mass spectrometry
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Analysis of food samples made easy by microextraction technologies directly coupled to mass spectrometry

Gionfriddo, Emanuela ; Gómez‐Ríos, German Augusto

Journal of mass spectrometry., 2021-01, Vol.56 (1), p.e4665-n/a [Periódico revisado por pares]

England: Wiley Subscription Services, Inc

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7
Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies
Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies
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Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies

Mecklenfeld, Andreas ; Raabe, Gabriele

Journal of computer-aided molecular design, 2020, Vol.34 (1), p.71-82 [Periódico revisado por pares]

Cham: Springer International Publishing

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8
Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?
Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?
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Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?

da Silva, Guilherme C. Q. ; Silva, Gabriel M. ; Tavares, Frederico W. ; Fleming, Felipe P. ; Horta, Bruno A. C.

Journal of molecular modeling, 2020-11, Vol.26 (11), p.296-296, Article 296 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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9
Assessing the Relationship Between Mass Window Width and Retention Time Scheduling on Protein Coverage for Data-Independent Acquisition
Assessing the Relationship Between Mass Window Width and Retention Time Scheduling on Protein Coverage for Data-Independent Acquisition
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Assessing the Relationship Between Mass Window Width and Retention Time Scheduling on Protein Coverage for Data-Independent Acquisition

Li, Wenxue ; Chi, Hao ; Salovska, Barbora ; Wu, Chongde ; Sun, Liangliang ; Rosenberger, George ; Liu, Yansheng

Journal of the American Society for Mass Spectrometry, 2019-08, Vol.30 (8), p.1396-1405 [Periódico revisado por pares]

New York: Springer US

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10
Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules
Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules
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Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules

Drew Bennett, W F ; Fox, Stephen J ; Sun, Delin ; Maupin, C Mark

Membranes (Basel), 2022-03, Vol.12 (4), p.350 [Periódico revisado por pares]

Switzerland: MDPI AG

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