Easpórtáil curtha i gcrích — 
Á lódáil...

ParaDynamics: An Effective and Reliable Model for Ab Initio QM/MM Free Energy Calculations and Related Tasks

Recent years have seen tremendous effort in the development of approaches with which to obtain quantum mechanics/molecular mechanics (QM/MM) free energies for reactions in the condensed phase. Nevertheless, there remain significant challenges to address, particularly the high computational cost invo...

Cur síos iomlán

Na minha lista:
Sonraí Bibleagrafaíochta
Main Authors: Plotnikov, Nikolay, Kamerlin, Shina Caroline Lynn, Warshel, Arieh
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2011
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3124314/
https://ncbi.nlm.nih.gov/pubmed/21618985
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp201217b
Clibeanna: Cuir Clib Leis
Gan Chlibeanna, Bí ar an gcéad duine leis an taifead seo a chlibeáil!