DOIAbstract
AbstractInsufficient sampling of conformational sub-states by current molecular dynamics simulations accounts for deficiencies in representations of the fluctuating interatomic separations in macromolecules
AbstractInsufficient sampling of conformational sub-states by current molecular dynamics simulations accounts for deficiencies in representations of the fluctuating interatomic separations in macromolecules
Intrinsically disordered proteins (IDPs) are highly prevalent and play important roles in biology an...
A detailed investigation is presented into the effect of limited sampling time and small changes in ...
Far from the static, idealized conformations deposited into structural databases, proteins are highl...
AbstractInsufficient sampling of conformational sub-states by current molecular dynamics simulations...
<div><p>Investigation of macromolecular structure and dynamics is fundamental to understanding how m...
This paper builds upon the need for a more descriptive and accurate understanding of the landscape o...
Atomic motions in protein molecules have been studied by molecular dynamics (MD) simulations; dynami...
Extended molecular dynamics simulations covering a total of 0.232 μs have been carried out on a simp...
This paper builds upon the need for a more descriptive and accurate understanding of the landscape o...
Computation based on molecular models is playing an increasingly important role in biology, biologic...
The group for computer-aided chemistry at the ETH Zürich focuses its research on the development of ...
. Molecular dynamics (MD) simulations of proteins provide descriptions of atomic motions, which allo...
Data reporting on structure and dynamics of cellular constituents are growing with increasing pace e...
A deep understanding of the role of motions in the functional mechanisms of biomolecules can potenti...
With molecular dynamics protein dynamics can be simulated in atomic detail. Current computers are no...
Intrinsically disordered proteins (IDPs) are highly prevalent and play important roles in biology an...
A detailed investigation is presented into the effect of limited sampling time and small changes in ...
Far from the static, idealized conformations deposited into structural databases, proteins are highl...
AbstractInsufficient sampling of conformational sub-states by current molecular dynamics simulations...
<div><p>Investigation of macromolecular structure and dynamics is fundamental to understanding how m...
This paper builds upon the need for a more descriptive and accurate understanding of the landscape o...
Atomic motions in protein molecules have been studied by molecular dynamics (MD) simulations; dynami...
Extended molecular dynamics simulations covering a total of 0.232 μs have been carried out on a simp...
This paper builds upon the need for a more descriptive and accurate understanding of the landscape o...
Computation based on molecular models is playing an increasingly important role in biology, biologic...
The group for computer-aided chemistry at the ETH Zürich focuses its research on the development of ...
. Molecular dynamics (MD) simulations of proteins provide descriptions of atomic motions, which allo...
Data reporting on structure and dynamics of cellular constituents are growing with increasing pace e...
A deep understanding of the role of motions in the functional mechanisms of biomolecules can potenti...
With molecular dynamics protein dynamics can be simulated in atomic detail. Current computers are no...
Intrinsically disordered proteins (IDPs) are highly prevalent and play important roles in biology an...
A detailed investigation is presented into the effect of limited sampling time and small changes in ...
Far from the static, idealized conformations deposited into structural databases, proteins are highl...
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