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31 December 2014 7,425 5 View
Kindly give suggestion along with links, I am interested in the study of the change of the hydrophobicity of selected residues in the protein in molecular dynamics simulation.
06 July 2014 7,383 1 View
Which is a better solvent for work up of substituted imidazoles
03 April 2014 8,328 5 View
I know that it can be done with amber but I don't have a licence.
31 December 2013 9,507 10 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View