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Relation Between Binging Energy, Isothermal Bulk Modulus, and Surface Tension of Liquid Metals
Relation Between Binging Energy, Isothermal Bulk Modulus, and Surface Tension of Liquid Metals
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Relation Between Binging Energy, Isothermal Bulk Modulus, and Surface Tension of Liquid Metals

Starodubtsev, Yu. N. ; Tsepelev, V. S.

Recent Advances in Manufacturing Engineering and Processes, p.211-218

Singapore: Springer Nature Singapore

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2
An Ab Initio Computational Study of Binding Energies of Interstellar Complex Organic Molecules on Crystalline Water Ice Surface Models
An Ab Initio Computational Study of Binding Energies of Interstellar Complex Organic Molecules on Crystalline Water Ice Surface Models
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An Ab Initio Computational Study of Binding Energies of Interstellar Complex Organic Molecules on Crystalline Water Ice Surface Models

Kakkar, Harjasnoor ; Martínez-Bachs, Berta ; Rimola, Albert

Computational Science and Its Applications – ICCSA 2022 Workshops, p.281-292 [Periódico revisado por pares]

Cham: Springer International Publishing

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3
Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method
Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method
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Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method

Heifetz, Alexander ; Sladek, Vladimir ; Townsend-Nicholson, Andrea ; Fedorov, Dmitri G.

Methods in molecular biology (Clifton, N.J.), 2020, Vol.2114, p.187-205

New York, NY: Springer US

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4
Interaction of TFSI-Imidazole and TFSI-Pyridinium ILs with MOFs from Molecular Docking Simulation
Interaction of TFSI-Imidazole and TFSI-Pyridinium ILs with MOFs from Molecular Docking Simulation
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Interaction of TFSI-Imidazole and TFSI-Pyridinium ILs with MOFs from Molecular Docking Simulation

Abdullah, Nor Ain Fathihah ; Jumbri, Khairulazhar ; Rahim, Nurul Yani

Proceedings of the 6th International Conference on Fundamental and Applied Sciences, p.185-194

Singapore: Springer Nature Singapore

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5
Inclusion Complexes of β-Cyclodextrin/Pioglitazone and β-Cyclodextrin-Ionic Liquid/Pioglitazone: Spectroscopic Methods Combined with Molecular Docking Studies
Inclusion Complexes of β-Cyclodextrin/Pioglitazone and β-Cyclodextrin-Ionic Liquid/Pioglitazone: Spectroscopic Methods Combined with Molecular Docking Studies
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Inclusion Complexes of β-Cyclodextrin/Pioglitazone and β-Cyclodextrin-Ionic Liquid/Pioglitazone: Spectroscopic Methods Combined with Molecular Docking Studies

Rahim, Nurul Yani ; Md Zuki, Nur Najihah ; Jumbri, Khairulazhar ; Mohamad, Sharifah ; Abdul Manan, Ninie Suhana ; Sidek, Nadiah ; Boon, Yih Hui ; Ramachandran, Muggundha Raoov

Proceedings of the 6th International Conference on Fundamental and Applied Sciences, p.131-145

Singapore: Springer Nature Singapore

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6
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models
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Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models

Perrero, Jessica ; Rimola, Albert ; Corno, Marta ; Ugliengo, Piero

Computational Science and Its Applications – ICCSA 2021, p.608-619 [Periódico revisado por pares]

Cham: Springer International Publishing

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7
MFCC-Based Fragmentation Methods for Biomolecules
MFCC-Based Fragmentation Methods for Biomolecules
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MFCC-Based Fragmentation Methods for Biomolecules

Liu, Jinfeng ; Zhu, Tong ; He, Xiao ; Zhang, John Z. H Gordon, Mark S

Fragmentation, 2017, p.323-348

United Kingdom: John Wiley & Sons, Incorporated

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8
In Silico Strategies to Design Small Molecules to Study Beta-Amyloid Aggregation
In Silico Strategies to Design Small Molecules to Study Beta-Amyloid Aggregation
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In Silico Strategies to Design Small Molecules to Study Beta-Amyloid Aggregation

Rao, Praveen P. N. ; Du, Deguo

Computational Modeling of Drugs Against Alzheimer’s Disease, p.249-261 [Periódico revisado por pares]

New York, NY: Springer New York

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9
Electronic Properties of Interfaces with Oligo- and Polythiophenes
Electronic Properties of Interfaces with Oligo- and Polythiophenes
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Electronic Properties of Interfaces with Oligo- and Polythiophenes

Tegeder, Petra

Elementary Processes in Organic Photovoltaics, 2017, Vol.272, p.377-399 [Periódico revisado por pares]

Switzerland: Springer International Publishing AG

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10
What Next for Quantum Mechanics in Structure-Based Drug Discovery?
What Next for Quantum Mechanics in Structure-Based Drug Discovery?
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What Next for Quantum Mechanics in Structure-Based Drug Discovery?

Bryce, Richard A.

Methods in molecular biology (Clifton, N.J.), 2020, Vol.2114, p.339-353

New York, NY: Springer US

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