Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions: Advances in Protein Chemistry and Structural Biology, cartea 100
Tatyana Karabencheva-Christovaen Limba Engleză Hardback – 25 sep 2015
Each volume brings forth new information about protocols and analysis of proteins, with each thematically organized volume guest edited by leading experts in a broad range of protein-related topics.
- Describes advances in application of powerful techniques in the biosciences
- Provides cutting-edge developments in protein chemistry and structural biology
- Chapters are written by authorities in their field
- Targeted to a wide audience of researchers, specialists, and students
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Specificații
ISBN-13: 9780128020036
ISBN-10: 0128020032
Pagini: 330
Dimensiuni: 152 x 229 x 23 mm
Greutate: 0.68 kg
Editura: ELSEVIER SCIENCE
Seria Advances in Protein Chemistry and Structural Biology
ISBN-10: 0128020032
Pagini: 330
Dimensiuni: 152 x 229 x 23 mm
Greutate: 0.68 kg
Editura: ELSEVIER SCIENCE
Seria Advances in Protein Chemistry and Structural Biology
Cuprins
- PUPIL: a Software Integration System for Multi-scale QM/MM-MD Simulations and its Application to Biomolecular Systems
Juan Torras, Benjamin P. Roberts, Gustavo M. Seabra and Samuel B. Trickey - Efficient Calculation of Enzyme Reaction Free Energy Profiles using a Hybrid Differential Relaxation Algorithm: Application to Mycobacterial Zinc Hydrolases
Juan Manuel Romero, Mariano Martin, Claudia Lilián Ramirez, Victoria Gisel Dumas and Marcelo Adrián Marti - A practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules
Jesús I. Mendieta-Moreno, Iñigo Marcos-Alcalde, Daniel G. Trabada, Paulino Gómez Puertas, José Ortega and Jesús Mendieta - Explicit Drug Re-Positioning: Predicting Novel Drug-Target Interactions of the Shelved Molecules with QM/MM Based Approaches
Ankur Omer, Venkatesan Suryanarayanan, Chandrabose Selvaraj, Sanjeev Kumar Singh and Poonam Singh - Enzymatic Halogenases and Haloperoxidases: Computational Studies on Mechanism and Function
Amy Timmins and Sam P. de Visser - The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions
Eric A. C. Bushnell, Victoria E. J. Berryman, James W. Gauld and Russell J. Boyd - QM and QM/MM Methods Compared: Case Studies on Reaction Mechanisms of Metalloenzymes
Tomasz Borowski, Matthew Quesne and Maciej Szaleniec - QM/MM Studies Reveal how Substrate-Substrate and Enzyme-Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism
Hansel Gómez, Fernanda Mendoza, José M. Lluch and Laura Masgrau - Excited States and Photochemistry of Chromophores in the Photoactive Proteins Explored by the Combined Quantummechanical and Molecular Mechanical Calculations
Lihong Liu, Ganglong Cui and Wei-Hai Fang