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Record Nr. |
UNINA9910254038303321 |
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Titolo |
Foundations of Molecular Modeling and Simulation : Select Papers from FOMMS 2015 / / edited by Randall Q Snurr, Claire S. Adjiman, David A. Kofke |
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Pubbl/distr/stampa |
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Singapore : , : Springer Singapore : , : Imprint : Springer, , 2016 |
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ISBN |
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Edizione |
[1st ed. 2016.] |
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Descrizione fisica |
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1 online resource (176 p.) |
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Collana |
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Molecular Modeling and Simulation, Applications and Perspectives, , 2364-5083 |
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Disciplina |
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Soggetti |
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Biochemical engineering |
Applied mathematics |
Engineering mathematics |
Molecular biology |
Materials science |
Biochemical Engineering |
Mathematical and Computational Engineering |
Molecular Medicine |
Characterization and Evaluation of Materials |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references at the end of each chapters. |
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Nota di contenuto |
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A Discontinuous-Potential Model for Protein-Protein Interactions -- Probing How Defects in Self-Assembled Monolayers Affect Peptide Adsorption with Molecular Simulation -- Development of a Coarse-Grained Water Forcefield Via Multistate Iterative Boltzmann Inversion -- Optimizing Molecular Models through Force Field Parameterization via the Efficient Combination of Modular Program Packages -- A Hierarchical, Component Based Approach to Screening Properties of Soft Matter -- Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-Classical Beads -- Homogeneous Nucleation of [Dmim+][Cl-] from its Supercooled Liquid Phase: A Molecular Simulation Study -- Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System -- Atomistic Modeling and Simulation at Solving Gas-Extraction Problems -- Atomistic Simulations of CO2 |
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