Folding of Trp-cage Mini Protein Using Temperature and Biasing Potential Replica—Exchange Molecular Dynamics Simulations

By Kannan Srinivasaraghavan   Zacharias Martin  

International Journal of Molecular Sciences, Vol. 10, Iss. 3, 2009-03 ,pp. : 1121-1137

MDPI

Access to resources Recommend Favorite

Effect of pH on the Aggregation of α-syn12 Dimer in Explicit Water by Replica-Exchange Molecular Dynamics Simulation

By Cao Zanxia   Zhang Xiumei   Liu Lei   Zhao Liling   Li Haiyan   Wang Jihua  

International Journal of Molecular Sciences, Vol. 16, Iss. 7, 2015-06 ,pp. : 14291-14304

MDPI

Access to resources Recommend Favorite

Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

By Wabik Jacek   Kmiecik Sebastian   Gront Dominik   Kouza Maksim   Koliński Andrzej  

International Journal of Molecular Sciences, Vol. 14, Iss. 5, 2013-05 ,pp. : 9893-9905

MDPI

Access to resources Recommend Favorite

A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) Study on Ornithine Cyclodeaminase (OCD): A Tale of Two Iminiums

By Ion Bogdan F.   Bushnell Eric A. C.   De Luna Phil   Gauld James W.  

International Journal of Molecular Sciences, Vol. 13, Iss. 10, 2012-10 ,pp. : 12994-13011

MDPI

Access to resources Recommend Favorite

Exploring the Balance between Folding and Functional Dynamics in Proteins and RNA

By Jackson Jovaun   Nguyen Kien   Whitford Paul Charles  

International Journal of Molecular Sciences, Vol. 16, Iss. 4, 2015-03 ,pp. : 6868-6889

MDPI

Access to resources Recommend Favorite