3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond
about
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics.Efficient treatment of solvation shells in 3D molecular theory of solvation.Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forces.
P2860
3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond
description
im Juli 2011 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в липні 2011
@uk
name
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@en
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@nl
type
label
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@en
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@nl
prefLabel
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@en
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@nl
P2860
P1433
P1476
3D-RISM-KH approach for biomol ...... of fibril formation and beyond
@en
P2093
Andriy Kovalenko
Nikolay Blinov
P2860
P304
P356
10.1080/08927022.2010.544306
P577
2011-07-01T00:00:00Z