Linear Response Path Following: A Molecular Dynamics Method To Simulate Global Conformational Changes of Protein upon Ligand Binding

2015 ◽  
Vol 11 (7) ◽  
pp. 2900-2917 ◽  
Author(s):  
Koichi Tamura ◽  
Shigehiko Hayashi
Keyword(s):  
Molecular Dynamics ◽  
Ligand Binding ◽  
Conformational Changes ◽  
Linear Response ◽  
Path Following ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen
Keyword(s):  
Molecular Dynamics ◽  
Conformational Changes ◽  
Molecular Dynamics Method ◽  
Enhanced Sampling ◽  
Dynamics Method

Study on Interactive Multi-resolution Molecular Dynamics Method

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dynamics Method

scholarly journals Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding

ACS Omega ◽  
2021 ◽  
Author(s):  
Yoshinori Hirano ◽  
Noriaki Okimoto ◽  
Shigeo Fujita ◽  
Makoto Taiji
Keyword(s):  
Molecular Dynamics ◽  
Ligand Binding ◽  
Conformational Changes ◽  
Binding Subsites
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