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Molybdenum in PDB 8bqt: Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates

Enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates

All present enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates, PDB code: 8bqt was solved by S.Lentink, D.E.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Vanmeervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.97 / 1.47
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 75.94, 75.94, 36.756, 90, 90, 90
R / Rfree (%) 17.1 / 20.2

Other elements in 8bqt:

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Manganese (Mn) 2 atoms

Molybdenum Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Molybdenum atom in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates (pdb code 8bqt). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 12 binding sites of Molybdenum where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates, PDB code: 8bqt:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 12 in 8bqt

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Molybdenum binding site 1 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:14.6
occ:0.69
 MO1 A:U7U201 0.0 14.6 0.7
O5 A:U7U201 1.7 16.3 0.7
O12 A:U7U201 1.7 13.0 0.7
O6 A:U7U201 1.9 14.3 0.7
O9 A:U7U201 1.9 13.8 0.7
O2 A:U7U201 2.3 15.4 0.7
O3 A:U7U201 2.4 13.0 0.7
MO3 A:U7U201 3.3 15.2 0.7
MN1 A:U7U201 3.3 13.3 0.7
MO4 A:U7U201 3.3 15.2 0.7
C6 A:U7U201 3.4 15.1 0.7
C2 A:U7U201 3.4 13.6 0.7
O11 A:U7U201 3.7 15.3 0.7
O17 A:U7U201 3.8 17.5 0.7
O1 A:U7U201 3.8 15.2 0.7
O16 A:U7U201 3.9 13.6 0.7
NH1 A:ARG14 4.1 18.3 1.0
O A:HOH351 4.3 30.0 1.0
C5 A:U7U201 4.4 14.0 0.7
C7 A:U7U201 4.4 15.4 0.7
CD A:ARG14 4.5 18.2 1.0
C4 A:U7U201 4.5 14.9 0.7
C1 A:U7U201 4.5 15.2 0.7
O14 A:U7U201 4.6 16.3 0.7
O22 A:U7U201 4.6 17.1 0.7
O18 A:U7U201 4.7 14.0 0.7
O8 A:U7U201 4.7 15.0 0.7
O15 A:U7U201 4.9 16.3 0.7
CG A:ARG14 4.9 17.2 1.0
CZ A:ARG14 5.0 17.6 1.0

Molybdenum binding site 2 out of 12 in 8bqt

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Molybdenum binding site 2 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:16.1
occ:0.69
 MO2 A:U7U201 0.0 16.1 0.7
O7 A:U7U201 1.7 16.9 0.7
O13 A:U7U201 1.7 18.1 0.7
O10 A:U7U201 1.9 19.5 0.7
O8 A:U7U201 1.9 15.0 0.7
O4 A:U7U201 2.3 16.4 0.7
O1 A:U7U201 2.4 15.2 0.7
MO5 A:U7U201 3.3 16.2 0.7
MN1 A:U7U201 3.3 13.3 0.7
C3 A:U7U201 3.3 10.6 0.7
MO3 A:U7U201 3.3 15.2 0.7
C7 A:U7U201 3.4 15.4 0.7
O A:HOH319 3.6 32.9 1.0
O14 A:U7U201 3.7 16.3 0.7
O19 A:U7U201 3.7 15.3 0.7
O3 A:U7U201 3.8 13.0 0.7
O15 A:U7U201 3.9 16.3 0.7
O A:HOH338 4.1 40.1 1.0
C2 A:U7U201 4.4 13.6 0.7
C1 A:U7U201 4.4 15.2 0.7
C8 A:U7U201 4.5 16.6 0.7
C5 A:U7U201 4.5 14.0 0.7
O23 A:U7U201 4.6 16.7 0.7
O11 A:U7U201 4.6 15.3 0.7
O20 A:U7U201 4.6 17.9 0.7
O6 A:U7U201 4.7 14.3 0.7
O16 A:U7U201 4.9 13.6 0.7

Molybdenum binding site 3 out of 12 in 8bqt

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Molybdenum binding site 3 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:15.2
occ:0.69
 MO3 A:U7U201 0.0 15.2 0.7
O11 A:U7U201 1.7 15.3 0.7
O14 A:U7U201 1.7 16.3 0.7
O8 A:U7U201 1.9 15.0 0.7
O6 A:U7U201 1.9 14.3 0.7
O3 A:U7U201 2.3 13.0 0.7
O1 A:U7U201 2.3 15.2 0.7
MN1 A:U7U201 3.3 13.3 0.7
MO1 A:U7U201 3.3 14.6 0.7
C7 A:U7U201 3.3 15.4 0.7
C2 A:U7U201 3.3 13.6 0.7
MO2 A:U7U201 3.3 16.1 0.7
O12 A:U7U201 3.7 13.0 0.7
O13 A:U7U201 3.7 18.1 0.7
O2 A:U7U201 3.9 15.4 0.7
O4 A:U7U201 3.9 16.4 0.7
O A:HOH351 4.2 30.0 1.0
O A:HOH338 4.2 40.1 1.0
O A:HOH319 4.4 32.9 1.0
C5 A:U7U201 4.4 14.0 0.7
C1 A:U7U201 4.5 15.2 0.7
C3 A:U7U201 4.5 10.6 0.7
C6 A:U7U201 4.5 15.1 0.7
O5 A:U7U201 4.5 16.3 0.7
O7 A:U7U201 4.6 16.9 0.7
O9 A:U7U201 4.7 13.8 0.7
O10 A:U7U201 4.7 19.5 0.7
O15 A:U7U201 4.9 16.3 0.7
O16 A:U7U201 4.9 13.6 0.7

Molybdenum binding site 4 out of 12 in 8bqt

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Molybdenum binding site 4 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:15.2
occ:0.69
 MO4 A:U7U201 0.0 15.2 0.7
O22 A:U7U201 1.7 17.1 0.7
O17 A:U7U201 1.7 17.5 0.7
O18 A:U7U201 1.9 14.0 0.7
O9 A:U7U201 1.9 13.8 0.7
O16 A:U7U201 2.3 13.6 0.7
O2 A:U7U201 2.3 15.4 0.7
C4 A:U7U201 3.3 14.9 0.7
MN1 A:U7U201 3.3 13.3 0.7
MO6 A:U7U201 3.3 16.5 0.7
MO1 A:U7U201 3.3 14.6 0.7
C6 A:U7U201 3.4 15.1 0.7
NH1 A:ARG14 3.7 18.3 1.0
O21 A:U7U201 3.7 17.2 0.7
O5 A:U7U201 3.8 16.3 0.7
O3 A:U7U201 3.8 13.0 0.7
O15 A:U7U201 3.9 16.3 0.7
O A:HOH311 3.9 31.5 1.0
NE2 A:HIS15 4.1 24.9 1.0
CD2 A:HIS15 4.1 22.4 1.0
O A:HOH329 4.3 36.0 1.0
C2 A:U7U201 4.4 13.6 0.7
C1 A:U7U201 4.4 15.2 0.7
C5 A:U7U201 4.4 14.0 0.7
C8 A:U7U201 4.5 16.6 0.7
CG A:ARG14 4.6 17.2 1.0
O24 A:U7U201 4.6 19.2 0.7
O12 A:U7U201 4.6 13.0 0.7
O20 A:U7U201 4.6 17.9 0.7
O6 A:U7U201 4.7 14.3 0.7
CE1 A:HIS15 4.8 20.1 1.0
CG A:HIS15 4.8 22.2 1.0
CZ A:ARG14 4.9 17.6 1.0
O A:ARG14 4.9 19.2 1.0
O1 A:U7U201 4.9 15.2 0.7
CD A:ARG14 5.0 18.2 1.0
O4 A:U7U201 5.0 16.4 0.7

Molybdenum binding site 5 out of 12 in 8bqt

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Molybdenum binding site 5 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:16.2
occ:0.69
 MO5 A:U7U201 0.0 16.2 0.7
O19 A:U7U201 1.7 15.3 0.7
O23 A:U7U201 1.7 16.7 0.7
O10 A:U7U201 1.9 19.5 0.7
O20 A:U7U201 1.9 17.9 0.7
O4 A:U7U201 2.3 16.4 0.7
O15 A:U7U201 2.4 16.3 0.7
MO2 A:U7U201 3.3 16.1 0.7
MO6 A:U7U201 3.3 16.5 0.7
MN1 A:U7U201 3.3 13.3 0.7
C3 A:U7U201 3.3 10.6 0.7
C8 A:U7U201 3.4 16.6 0.7
O7 A:U7U201 3.7 16.9 0.7
O24 A:U7U201 3.8 19.2 0.7
O16 A:U7U201 3.8 13.6 0.7
O1 A:U7U201 3.9 15.2 0.7
C4 A:U7U201 4.4 14.9 0.7
C7 A:U7U201 4.4 15.4 0.7
C1 A:U7U201 4.5 15.2 0.7
C5 A:U7U201 4.5 14.0 0.7
O13 A:U7U201 4.5 18.1 0.7
O21 A:U7U201 4.6 17.2 0.7
O8 A:U7U201 4.7 15.0 0.7
O18 A:U7U201 4.7 14.0 0.7
O3 A:U7U201 4.9 13.0 0.7

Molybdenum binding site 6 out of 12 in 8bqt

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Molybdenum binding site 6 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:16.5
occ:0.69
 MO6 A:U7U201 0.0 16.5 0.7
O24 A:U7U201 1.7 19.2 0.7
O21 A:U7U201 1.7 17.2 0.7
O20 A:U7U201 1.9 17.9 0.7
O18 A:U7U201 1.9 14.0 0.7
O15 A:U7U201 2.3 16.3 0.7
O16 A:U7U201 2.3 13.6 0.7
MO4 A:U7U201 3.3 15.2 0.7
MN1 A:U7U201 3.3 13.3 0.7
MO5 A:U7U201 3.3 16.2 0.7
C4 A:U7U201 3.3 14.9 0.7
C8 A:U7U201 3.3 16.6 0.7
O23 A:U7U201 3.7 16.7 0.7
O22 A:U7U201 3.7 17.1 0.7
O4 A:U7U201 3.9 16.4 0.7
O2 A:U7U201 3.9 15.4 0.7
O A:HOH311 3.9 31.5 1.0
C6 A:U7U201 4.4 15.1 0.7
C3 A:U7U201 4.4 10.6 0.7
C5 A:U7U201 4.4 14.0 0.7
C1 A:U7U201 4.4 15.2 0.7
O19 A:U7U201 4.6 15.3 0.7
O17 A:U7U201 4.6 17.5 0.7
O A:HOH328 4.6 30.5 1.0
O A:HOH348 4.6 28.6 1.0
O10 A:U7U201 4.7 19.5 0.7
O9 A:U7U201 4.8 13.8 0.7
O1 A:U7U201 4.9 15.2 0.7
O3 A:U7U201 4.9 13.0 0.7

Molybdenum binding site 7 out of 12 in 8bqt

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Molybdenum binding site 7 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo202

b:33.6
occ:0.54
 MO1 A:U7U202 0.0 33.6 0.5
O5 A:U7U202 1.7 31.3 0.5
O12 A:U7U202 1.7 32.3 0.5
O6 A:U7U202 1.9 23.8 0.5
O9 A:U7U202 1.9 30.4 0.5
O2 A:U7U202 2.3 25.4 0.5
O3 A:U7U202 2.4 33.6 0.5
MO4 A:U7U202 3.2 30.3 0.5
MO3 A:U7U202 3.2 38.0 0.5
MN1 A:U7U202 3.3 29.6 0.5
C6 A:U7U202 3.3 29.4 0.5
C2 A:U7U202 3.4 32.7 0.5
O11 A:U7U202 3.6 39.5 0.5
O17 A:U7U202 3.7 35.7 0.5
O1 A:U7U202 3.7 34.0 0.5
O16 A:U7U202 3.8 25.8 0.5
C5 A:U7U202 4.4 23.9 0.5
C4 A:U7U202 4.4 28.5 0.5
C7 A:U7U202 4.4 33.3 0.5
O22 A:U7U202 4.4 31.5 0.5
C1 A:U7U202 4.5 36.4 0.5
O8 A:U7U202 4.5 34.0 0.5
O14 A:U7U202 4.6 31.7 0.5
O18 A:U7U202 4.6 32.5 0.5
O15 A:U7U202 4.8 30.5 0.5
O4 A:U7U202 4.9 36.2 0.5

Molybdenum binding site 8 out of 12 in 8bqt

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Molybdenum binding site 8 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo202

b:39.7
occ:0.54
 MO2 A:U7U202 0.0 39.7 0.5
O13 A:U7U202 1.7 38.5 0.5
O7 A:U7U202 1.7 44.5 0.5
O10 A:U7U202 1.9 16.0 0.5
O8 A:U7U202 1.9 34.0 0.5
O4 A:U7U202 2.4 36.2 0.5
O1 A:U7U202 2.4 34.0 0.5
MO3 A:U7U202 3.2 38.0 0.5
C3 A:U7U202 3.4 34.6 0.5
MN1 A:U7U202 3.4 29.6 0.5
C7 A:U7U202 3.4 33.3 0.5
MO5 A:U7U202 3.4 49.2 0.5
O A:HOH302 3.6 36.0 1.0
O14 A:U7U202 3.6 31.7 0.5
O3 A:U7U202 3.7 33.6 0.5
O19 A:U7U202 3.8 42.1 0.5
CZ2 A:TRP62 3.9 43.1 0.4
O15 A:U7U202 4.1 30.5 0.5
C2 A:U7U202 4.2 32.7 0.5
C1 A:U7U202 4.3 36.4 0.5
CE2 A:TRP62 4.4 37.9 0.7
NE1 A:TRP62 4.4 35.8 0.7
O11 A:U7U202 4.5 39.5 0.5
O23 A:U7U202 4.5 38.3 0.5
O6 A:U7U202 4.6 23.8 0.5
C5 A:U7U202 4.7 23.9 0.5
CH2 A:TRP62 4.7 46.2 0.2
C8 A:U7U202 4.8 29.5 0.5
O20 A:U7U202 4.8 39.5 0.5
O16 A:U7U202 5.0 25.8 0.5

Molybdenum binding site 9 out of 12 in 8bqt

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Molybdenum binding site 9 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 9 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo202

b:38.0
occ:0.54
 MO3 A:U7U202 0.0 38.0 0.5
O14 A:U7U202 1.7 31.7 0.5
O11 A:U7U202 1.7 39.5 0.5
O8 A:U7U202 1.9 34.0 0.5
O6 A:U7U202 1.9 23.8 0.5
O1 A:U7U202 2.4 34.0 0.5
O3 A:U7U202 2.4 33.6 0.5
MO2 A:U7U202 3.2 39.7 0.5
MO1 A:U7U202 3.2 33.6 0.5
MN1 A:U7U202 3.4 29.6 0.5
C2 A:U7U202 3.4 32.7 0.5
C7 A:U7U202 3.4 33.3 0.5
O13 A:U7U202 3.5 38.5 0.5
O12 A:U7U202 3.6 32.3 0.5
O2 A:U7U202 3.9 25.4 0.5
O4 A:U7U202 4.0 36.2 0.5
O A:HOH302 4.0 36.0 1.0
C6 A:U7U202 4.4 29.4 0.5
O5 A:U7U202 4.5 31.3 0.5
C5 A:U7U202 4.5 23.9 0.5
O10 A:U7U202 4.5 16.0 0.5
O7 A:U7U202 4.5 44.5 0.5
CG A:ARG73 4.5 27.1 1.0
C1 A:U7U202 4.6 36.4 0.5
O9 A:U7U202 4.6 30.4 0.5
O A:GLY71 4.6 31.9 1.0
CD A:ARG73 4.6 33.8 0.5
C3 A:U7U202 4.7 34.6 0.5
NH1 A:ARG73 4.9 35.2 0.6
O16 A:U7U202 5.0 25.8 0.5
O15 A:U7U202 5.0 30.5 0.5

Molybdenum binding site 10 out of 12 in 8bqt

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Molybdenum binding site 10 out of 12 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 10 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo202

b:30.3
occ:0.54
 MO4 A:U7U202 0.0 30.3 0.5
O17 A:U7U202 1.7 35.7 0.5
O22 A:U7U202 1.7 31.5 0.5
O9 A:U7U202 1.9 30.4 0.5
O18 A:U7U202 1.9 32.5 0.5
O2 A:U7U202 2.3 25.4 0.5
O16 A:U7U202 2.4 25.8 0.5
MO1 A:U7U202 3.2 33.6 0.5
C4 A:U7U202 3.3 28.5 0.5
MN1 A:U7U202 3.3 29.6 0.5
MO6 A:U7U202 3.3 30.6 0.5
C6 A:U7U202 3.4 29.4 0.5
O5 A:U7U202 3.6 31.3 0.5
O3 A:U7U202 3.8 33.6 0.5
O15 A:U7U202 3.8 30.5 0.5
O21 A:U7U202 3.8 29.2 0.5
C2 A:U7U202 4.3 32.7 0.5
C1 A:U7U202 4.4 36.4 0.5
C8 A:U7U202 4.4 29.5 0.5
C5 A:U7U202 4.4 23.9 0.5
O12 A:U7U202 4.5 32.3 0.5
O24 A:U7U202 4.5 28.9 0.5
O6 A:U7U202 4.5 23.8 0.5
O20 A:U7U202 4.7 39.5 0.5
O1 A:U7U202 4.9 34.0 0.5
O4 A:U7U202 5.0 36.2 0.5

Reference:

S.Lentink, D.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Van Meervelt, T.Parac-Vogt. Fine-Tuning Non-Covalent Interactions Between Hybrid Metal-Oxo Clusters and Proteins Faraday Disc.Chem.Soc 2022.
ISSN: ESSN 1364-5498
DOI: 10.1039/D2FD00161F
Page generated: Sun Oct 6 17:06:10 2024

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