SDA  7.1
Simulation of Diffusional Association
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mod_flexibility.f90 File Reference

Allow the change in conformation of the solutes. More...

Data Types

module  mod_flexibility
 Module for flexibility. More...
 
type  mod_flexibility::nodeflex
 Define nodes of list_flex, internal use. More...
 
type  mod_flexibility::list_flex_type
 List of set of grid. More...
 
type  mod_flexibility::flexible
 Main class owned by each protein to allow a change in conformation. More...
 

Detailed Description

Allow the change in conformation of the solutes.

Version
{version 7.1 (2015)}

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References (see also http://mcm.h-its.org/sda7/doc/doc_sda7/references.html):

Brownian dynamics simulation of protein-protein diffusional encounter.

(1998) Methods, 14, 329-341.

Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, R.R.Gabdoulline, M. Ozboyaci, S.Richter and R.C.Wade


Subroutines in change_conformation.f90 implement the different algorithms.