000			01412nam a22001937a 4500
003			OSt
005			20240708105208.0
008			240708b |||||||| |||| 00| 0 eng d
020			_a9781849733533
040			_cRSC
082			_a615.19
084			_2Colon Classification
100			_a Javier Luque and Xavier Barril, ed.
245			_aPhysico-Chemical and Computational Approaches to Drug Discovery
260			_b Royal Society of Chemistry /RSC Publishing _c2012
520			_aMolecular modeling and simulation play a central role in academic and industrial research focused on physico-chemical properties and processes. The efforts carried out in this field have crystallized in a variety of models, simulation methods, and computational techniques that are examining the relationship between the structure, dynamics and functional role of biomolecules and their interactions. In particular, there has been a huge advance in the understanding of the molecular determinants that mediate the interaction between small compounds acting as ligands and their macromolecular targets. This book provides an updated description of the advances experienced in recent years in the field of molecular modeling and simulation of biomolecular recognition, with particular emphasis towards the development of efficient strategies in structure-based drug design.
650			_aDrug Discovery
942			_cBK _2ddc
999			_c732590 _d732590