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Boolean: (bicycle AND helmet) OR (head AND protection) (always group AND in parenthesis)
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journal:(Inorganic AND Chemistry) AND title:(Molecular AND Modeling AND of AND Bifunctional AND Chelate AND Peptide AND Conjugates AND 1 AND Copper AND and AND Indium AND Parameters AND for AND the AND AMBER AND Force AND Field)

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1 Journal article

Molecular modeling of bifunctional chelate peptide conjugates. 1. Copper and indium parameters for the AMBER force field

Reichert, D E; Norrby, P O; Welch, M J

Inorganic Chemistry — 2001, Volume 40, Issue 20, pp. 5223-30

In this work we describe the development of parameters for In(III) and Cu(II) for the AMBER force field as found in the modeling package MacroModel. These parameters were developed using automated procedures from a combination of crystallographic structures and ab initio calculations. The new

Year: 2001

Language: English

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pohi nakc bm lfejgd
2 Journal article

Molecular Modeling of Bifunctional Chelate Peptide Conjugates. 1. Copper and Indium Parameters for the AMBER Force Field

Reichert, David E.; Norrby, Per-Ola; Welch, Michael J.

Inorganic Chemistry — 2001, Volume 40, Issue 20, pp. 5223-5230

In this work we describe the development of parameters for In(III) and Cu(II) for the AMBER* force field as found in the modeling package MacroModel. These parameters were developed using automated procedures from a combination of crystallographic structures and ab initio calculations. The new

Year: 2001

Language: English

More...
pgoh d cime bjlfkan

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