A Comparison of Non-Bonded Scaling Approaches for Free Energy Calculations

Author： Pitera Jed W.   van Gunsteren Wilfred F.  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.28, Iss.1, 2002-01, pp. : 45-65

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Free energy calculations of glycosaminoglycanprotein interactions

By Gandhi Neha S   Mancera Ricardo L  

Glycobiology, Vol. 19, Iss. 10, 2009-10 ,pp. : 1103-1115

Oxford University Press

Access to resources Recommend Favorite

Free Energy Calculations. The Long and Winding Gilded Road

By Chipot Christophe   Pearlman David A.  

Molecular Simulation, Vol. 28, Iss. 1, 2002-01 ,pp. : 1-12

Taylor & Francis Ltd

Access to resources Recommend Favorite

Application of the Free Energy Calculations to Study Drug-enzyme and Drug-dna Complexes

By Cieplak Piotr  

Molecular Simulation, Vol. 28, Iss. 1, 2002-01 ,pp. : 173-186

Taylor & Francis Ltd

Access to resources Recommend Favorite

Empirical Free Energy Calculations: A Blind Test and Further Improvements to the Method

By Novotny J.   Bruccoleri R.E.   Davis M.   Sharp K.A.  

Journal of Molecular Biology, Vol. 268, Iss. 2, 1997-05 ,pp. : 401-411

Academic Press

Access to resources Recommend Favorite

The Role of Bonded Energy Terms in Free Energy Simulations - Insights from Analytical Results

By Boresch Stefan  

Molecular Simulation, Vol. 28, Iss. 1, 2002-01 ,pp. : 13-37

Taylor & Francis Ltd

Access to resources Recommend Favorite