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I am a protein crystallographer and
my main scientific interests lie in the field of solution,
analysis and modelling of macromolecular structures.
One of the most significant results of my work is creation
of program system for X-ray crystallography. It includes the
main algorithms for determination of protein structures and also
several original algorithms: new translation function which
determines the position of the model in crystal, packing function
determining the optimal packing of molecules in the unit cell
and some others.
The program system was widely used in several institutes
on different types of computers. I myself used it for structure
solution and refinement of such protein structures as three kinds
of catalases, rybonucleases, ceruloplasmin.
Analysis of protein structures is the natural development of
the protein project. For this field I've created the original algo-
rithm of calculation of electrostatic fields of proteins.
Another field of protein structure investigations in which I
did research is prediction of secondary and three-dimensional
structures of proteins, creation of protein models by searhing for
similar fragments in PDB, algorithms for analysis and alignment of
aminoacid sequences.
I am also interested in visualization of protein structures.
I've created several programs for drawing and modification of
molecular models, vizualization of electrostatic fields and 3-dimen-
sional electron density maps for vector and raster displays.
As computer graphics can be used in other fields of science I
worked in the field of electron microscopy and computer tomography.
In this fields I created several programs for 3-dimensional recon-
struction of objects from their projections.
Alexei Vagin and Alexei Teplyakov.
An approach to multi-copy search in molecular replacement.
Acta Cryst. (2000) D56, 1622-1624
A.A.Vaguine, J.Richelle, S.J.Wodak. SFCHECK: a unified set of
procedure for evaluating the quality of macromolecular
stracture-factor data and their agreement with atomic model.
Acta Cryst.(1999). D55, 191-205
Murshudov GN, Vagin AA, Lebedev A, Wilson KS, Dodson EJ.
Efficient anisotropic refinement of macromolecular structures using FFT
Acta Crystallographica Section D - Biological Crystallography,
1999, 55, 247-255
A. A. Vagin, G. N. Murshudov and B. V. Strokopytov
BLANC: the program suite for protein crystallography
J. Appl. Cryst. (1998). 31, 98 - 102
A.Vagin,A.Teplyakov, A Translation-Function Approach for
Heavy-Atom Location in Macromolecular Crystallography.
Acta Cryst. (1998).D54, 400-402
Murshudov GN, Vagin AA, Dodson EJ.
Refinement of macromolecular structures by the maximum- likelihood method
Acta Crystallographica Section D - Biological Crystallography,
1997, 53, 240-255
A.Vagin,A.Teplyakov, MOLREP: an automated program for
molecular replacement.,
J. Appl. Cryst. (1997) 30, 1022-1025.
A.A.Vagin, New translation and packing functions., Newsletter
on protein crystallography., Daresbury Laboratory,
number 24, 1989.
B.K.Vainshtein, W.R.Melik-Adamyan, V.V.Barynin, A.A.Vagin,
A.I.Grebenko, V.V.Borisov, K.S.Bartels, I.Fita, M.G.Rossmann,
Three-dimensional structure of catalase from Penicillium
vitale at 2.0 A resolution., J.Molec.Biol.,1986, v.188,p.49-61.
W.R.Melik-Adamyan, V.V.Barynin, A.A.Vagin, V.V.Borisov,
B.K.Vainshtein, I.Fita, M.K.N.Murthy, M.G.Rossmann,
Comparison of beef liver and Penicillium vitale catalases.,
J.Molec.Biol.,1986, v.188, p.63-72.
B.K.Vainshtein, W.R.Melik-Adamyan, V.V.Barynin, A.A.Vagin,
A.I.Grebenko, Three-dimensional structure of the enzymecatalase.,
Nature, 1981, v.293, p.411-412.