Search Results - "Duane Walker, P." :: K.UTB vyhledávací portál

Loading…

Ab Initio Quality Electron Densities for Proteins: A MEDLA Approach

by Walker, P. Duane, Mezey, Paul G
Published in Journal of the American Chemical Society (01.12.1994)

Get full text

Journal Article

Loading…

Fuzzy molecular fragments in drug research

by Mezey, Paul G., Duane Walker, P.
Published in Drug discovery today (01.04.1997)

Get full text

Journal Article

Loading…

Molecular electron density Lego approach to molecule building

by Walker, P. Duane, Mezey, Paul G
Published in Journal of the American Chemical Society (01.12.1993)

Get full text

Journal Article

Loading…

Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems

by Walker, P. Duane, Maggiora, Gerald M, Johnson, Mark A, Petke, James D, Mezey, Paul G
Published in Journal of chemical information and computer sciences (01.05.1995)

Get full text

Journal Article

Loading…

USE OF QUANTITATIVE SHAPE–ACTIVITY RELATIONSHIPS TO MODEL THE PHOTOINDUCED TOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS: ELECTRON DENSITY SHAPE FEATURES ACCURATELY PREDICT TOXICITY

by Mezey, Paul G., Zimpel, Zbigniew, Warburton, Peter, Walker, P. Duane, Irvine, Donald G., Huang, Xiag-Dong, Dixon, D. George, Greenberg, Bruce M.
Published in Environmental toxicology and chemistry (01.07.1998)

Get full text

Journal Article

Loading…

A new computational microscope for molecules: High resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods

by Walker, P. Duane, Mezey, Paul G.
Published in Journal of mathematical chemistry (01.01.1995)

Get full text

Journal Article

Loading…

Use of quantitative shape-activity relationships to model the photoinduced toxicity of polycyclic aromatic hydrocarbons: Electron density shape features accurately predict toxicity

by Mezey, Paul G., Zimpel, Zbigniew, Warburton, Peter, Walker, P. Duane, Irvine, Donald G., Huang, Xiag-Dong, Dixon, D. George, Greenberg, Bruce M.
Published in Environmental toxicology and chemistry (01.07.1998)

Get full text

Journal Article