MTS-MD of biomolecules steered with 3D-RISM-KH mean solvation forces accelerated with generalized solvation force extrapolation

I Omelyan, A Kovalenko - Journal of Chemical Theory and …, 2015 - ACS Publications
We developed a generalized solvation force extrapolation (GSFE) approach to speed up
multiple time step molecular dynamics (MTS-MD) of biomolecules steered with mean …
被引用次数：42 相关文章

MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation

I Omelyan, A Kovalenko - Journal of chemical theory and …, 2015 - pubmed.ncbi.nlm.nih.gov
We developed a generalized solvation force extrapolation (GSFE) approach to speed up
multiple time step molecular dynamics (MTS-MD) of biomolecules steered with mean …

[引用][C] MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation

I Omelyan, A Kovalenko - Journal of Chemical Theory and Computation, 2015 - cir.nii.ac.jp
MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with
Generalized Solvation Force Extrapolation | CiNii Research CiNii 国立情報学研究所 学術情報 …
[PDF] academia.edu

[PDF][PDF] MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation

I Omelyan, A Kovalenko - Journal of Chemical Theory and …, 2015 - academia.edu
We developed a generalized solvation force extrapolation (GSFE) approach to speed up
multiple time step molecular dynamics (MTS-MD) of biomolecules steered with mean …

[引用][C] MTS-MD of biomolecules steered with 3D-RISM-KH mean solvation forces accelerated with generalized solvation force extrapolation

I Omelyan, A Kovalenko - Journal of Chemical Theory and Computation, 2015 - elibrary.ru

MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation.

I Omelyan, A Kovalenko - Journal of Chemical Theory and …, 2015 - europepmc.org
We developed a generalized solvation force extrapolation (GSFE) approach to speed up
multiple time step molecular dynamics (MTS-MD) of biomolecules steered with mean …