Chapter 7 Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview Export

@article{citeulike:5200541, abstract = {Implicit solvent framework is briefly introduced, with the focus on its advantages and limitations for use in molecular simulations. The hierarchy of approximations that leads to some of the practical models based on the framework is discussed. The Generalized Born model is considered in more detail, including its basis, examples of applications, and limitations. Alternative approaches and methodological challenges are also touched upon.}, author = {Onufriev, A.}, citeulike-article-id = {5200541}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/S1574-1400(08)00007-8}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S1574140008000078}, doi = {10.1016/S1574-1400(08)00007-8}, issn = {15741400}, journal = {Annual Reports in Computational Chemistry}, keywords = {molecular\_dynamics, protein, solvent}, pages = {125--137}, posted-at = {2009-10-06 11:36:30}, priority = {2}, title = {Chapter 7 Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview}, url = {http://dx.doi.org/10.1016/S1574-1400(08)00007-8}, volume = {4}, year = {2008} }

TY - JOUR ID - citeulike:5200541 L3 - citeulike-article-id:5200541 N2 - Implicit solvent framework is briefly introduced, with the focus on its advantages and limitations for use in molecular simulations. The hierarchy of approximations that leads to some of the practical models based on the framework is discussed. The Generalized Born model is considered in more detail, including its basis, examples of applications, and limitations. Alternative approaches and methodological challenges are also touched upon. JF - Annual Reports in Computational Chemistry SN - 15741400 EP - 137 TI - Chapter 7 Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview VL - 4 SP - 125 KW - molecular_dynamics KW - protein KW - solvent AU - Onufriev, A PY - 2008/// UR - http://dx.doi.org/10.1016/S1574-1400(08)00007-8 ER -