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007			cr nn 008mamaa
008			100301s2008 xxu| o |||| 0|eng d
020			_a9781597451772
024	7		_a10.1007/978-1-59745-177-2 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC _dES-MaUEC
050		4	_aQP551 _b2008 EB
245	0	0	_aMolecular Modeling of Proteins _cedited by Andreas Kukol
250			_a1st edition 2008
264		1	_aTotowa, NJ _bHumana Press _c2008
300			_a1 recurso en línea (XII, 390 páginas)
336			_atexto _btxt _2rdacontent
337			_aelectrónico _bc _2rdamedia
338			_arecurso electrónico _bcr _2rdacarrier
347			_aarchivo de texto _bPDF
490	0		_aMethods in Molecular Biology _x1940-6029 _v443
505	0		_aMethodology -- Molecular Dynamics Simulations -- Monte Carlo Simulations -- Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes -- Comparison of Protein Force Fields for Molecular Dynamics Simulations -- Normal Modes and Essential Dynamics -- Free Energy Calculations -- Calculation of Absolute Protein-Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method -- Free Energy Calculations Applied to Membrane Proteins -- Molecular Modeling of Membrane Proteins -- Molecular Dynamics Simulations of Membrane Proteins -- Membrane-Associated Proteins and Peptides -- Implicit Membrane Models for Membrane Protein Simulation -- Protein Structure Determination -- Comparative Modeling of Proteins -- Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints -- Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes -- Conformational Change -- Conformational Changes in Protein Function -- Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations -- Modeling of Protein Misfolding in Disease -- Applications to Drug Design -- Identifying Putative Drug Targets and Potential Drug Leads -- Receptor Flexibility for Large-Scale In Silico Ligand Screens -- Molecular Docking.
520			_aMolecular modeling has undergone a remarkable transformation in the last 20 years, as biomolecular simulation moves from the realm of specialists to the wider academic community. Molecular Modeling of Proteins provides thorough introductions and a compilation of step-by-step methods applicable to problems faced by non-specialists - especially those new to the software packages used in molecular modeling. Tips on troubleshooting and avoiding common pitfalls are included in this book, along with chapters covering a wide range of subjects ranging from free energy calculation to applications for drug design. Written by an internationally distinguished panel of investigators and outlining the most striking developments in the field, Molecular Modeling of Proteins is an invaluable resource for those in the industry, as well as a cutting-edge reference for students and professionals in the fields of chemistry, biochemistry, biology, biophysics and bioinformatics.
988			_aSpringer_Protocols_2008
650		7	_2embne _9669891 _aProteínas _xEstructura
776	0	8	_iPrinted edition: _z9781617378126
776	0	8	_iPrinted edition: _z9781588298645
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-59745-177-2 _zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
942			_2lcc _cLE
998			_b09/2023 _dz _eIG _zSI