The representation of van der Waals (vdW) interactions in molecular mechanics force fields: potential form, combination rules, and vdW parameters

1992 ◽  
Vol 114 (20) ◽  
pp. 7827-7843 ◽  
Author(s):  
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Keyword(s):  
Molecular Mechanics ◽  
Force Fields ◽  
Van Der Waals ◽  
Combination Rules ◽  
Potential Form

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Author(s):  
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Alessandro Laio ◽  
Håkan W. Hugosson ◽  
Maria Carola Colombo ◽  
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Molecular Mechanics ◽  
Force Fields ◽  
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Derivation of Class II Force Fields. 4. van der Waals Parameters of Alkali Metal Cations and Halide Anions

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Vol 101 (39) ◽  
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Author(s):  
Zhengwei Peng ◽  
Carl S. Ewig ◽  
Ming-Jing Hwang ◽  
Marvin Waldman ◽  
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Keyword(s):  
Alkali Metal ◽  
Force Fields ◽  
Van Der Waals ◽  
Metal Cations ◽  
Class Ii ◽  
Alkali Metal Cations ◽  
Halide Anions

scholarly journals Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer

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Vol 15 (2) ◽  
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Xibing He ◽  
Philippe Derreumaux ◽  
Beihong Ji ◽  
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Force Fields ◽  
Amyloid Peptide ◽  
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Author(s):  
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Inclusion of charge and polarizability fluxes provides needed physical accuracy in molecular mechanics force fields

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Vol 429 (4-6) ◽  
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Author(s):  
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Samuel Krimm
Keyword(s):  
Molecular Mechanics ◽  
Force Fields
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