000			03371nam a22003855i 4500
001			281379
003			MX-SnUAN
005			20160429154103.0
007			cr nn 008mamaa
008			150903s2006 ne | o |||| 0|eng d
020			_a9781402035876 _99781402035876
024	7		_a10.1007/140203587-X _2doi
035			_avtls000334405
039		9	_a201509030246 _bVLOAD _c201404120742 _dVLOAD _c201404090522 _dVLOAD _y201402041147 _zstaff
040			_aMX-SnUAN _bspa _cMX-SnUAN _erda
050		4	_aQD39.3.E46
100	1		_aBecker, Oren M. _eautor _9307006
245	1	2	_aA Guide to Biomolecular Simulations / _cby Oren M. Becker, Martin Karplus.
264		1	_aDordrecht : _bSpringer Netherlands, _c2006.
300			_aIx, 203 páginas _brecurso en línea.
336			_atexto _btxt _2rdacontent
337			_acomputadora _bc _2rdamedia
338			_arecurso en línea _bcr _2rdacarrier
347			_aarchivo de texto _bPDF _2rda
490	0		_aFocus on Structural Biology, _x1571-4853 ; _v4
500			_aSpringer eBooks
505	0		_aIntroduction: Note to the Student -- Introduction: Note to the Instructor -- Introduction: UNIX -- Introduction: CHARMM Primer -- Introduction: CHARMM Template Files -- Molecular Visualization -- Energy and Minimization -- Minimization and Analysis -- Conformational Analysis -- Basic Molecular Dynamics in Vacuum and in Solution -- Molecular Dynamics and Analysis -- Ligand Dynamics in Myoglobin -- Normal Mode Analysis -- Free Energy Calculations -- Minimum Energy Paths and Transition States -- Multiple Copy Simultaneous Search -- Hemoglobin Cooperativity: the T-R Transition.
520			_aMolecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role. Over the years, such simulations have become a central part of biophysics. Applications of molecular dynamics in biophysics range over many areas. They are used in the structure determination of macromolecules with x-ray and NMR data, the modelling of unknown structures from their sequence, the study of enzyme mechanisms, the estimation of ligand-binding free energies, the evaluation of the role of conformational change in protein function, and drug design for targets of known structures. The widespread application of molecular dynamics and related methodologies suggests that it would be useful to have available an introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of the field. This Guide to Biomolecular Simulations tries to fill this need. The Guide consists of six chapters which provide the fundamentals of the field and six chapters which introduce the reader to more specialized but important applications of the methodology.
590			_aPara consulta fuera de la UANL se requiere clave de acceso remoto.
700	1		_aKarplus, Martin. _eautor _9307007
710	2		_aSpringerLink (Servicio en línea) _9299170
776	0	8	_iEdición impresa: _z9781402035869
856	4	0	_uhttp://remoto.dgb.uanl.mx/login?url=http://dx.doi.org/10.1007/1-4020-3587-X _zConectar a Springer E-Books (Para consulta externa se requiere previa autentificación en Biblioteca Digital UANL)
942			_c14
999			_c281379 _d281379