000			02167cam a22003374a 4500
001			14085732
005			20171005051939.0
008			050824s2006 gw a b 100 0 eng
020			_a9783540255420
040			_aBYT _cBYT _dBYT
082	0	4	_a547.70113 _223
245	0	0	_aNew algorithms for macromolecular simulation / _cBenedict Leimkuhler ... [Y siete más].
260			_aBerlin ; _aNew York : _bSpringer, _cc2006.
300			_axvi, 362 pages : _billustrations ; _c24 cm.
490	0		_aLecture notes in computational science and engineering ; _v49
504			_aIncludes bibliographical references.
505	2		_aMembrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.
520	3		_aMolecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
650		0	_aMacromolecules _xComputer simulation _vCongresses. _92791
650		0	_aMacromoléculas _xSimulación por computadores _vCongresos _92792
700	1		_aLeimkuhler, B. _92273 _eeditor
700	1		_aChipot, Christophe _92273 _eeditor
700	1		_aElber, Ron _92795
700	1		_aLaaksonen, Aatto _92273 _eeditor
700	1		_aMark, Alan _92273 _eeditor
700	1		_aShlick, Tamar _92273 _eeditor
700	1		_aSchütte, Christof _92273 _eeditor
700	1		_aSkeel, Robert _92273 _eeditor
856	4	2	_3Publisher description _uhttp://www.loc.gov/catdir/enhancements/fy0663/2005932829-d.html
942			_2ddc _cLIBRO
999			_c220