Electronic Properties for Medicine Inhibiting Cancer Metastasis (2) : Molecular Mechanics and Molecular Orbital Calculations for Urokinase

Journal of Computer Aided Chemistry ◽

10.2751/jcac.5.70 ◽

2004 ◽

Vol 5 ◽

pp. 70-78 ◽

Cited By ~ 3

Author(s):

Naoya Tsumura ◽

Fumitaka Sugiura ◽

Hiroshi Kobayashi ◽

Noriyuki Kurita

Keyword(s):

Electronic Properties ◽

Molecular Mechanics ◽

Molecular Orbital ◽

Cancer Metastasis ◽

Molecular Orbital Calculations

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Electronic Properties for Medicine Inhibiting Cancer Metastasis (1) : Molecular Orbital Calculations for Physiological Substance Bikunin

Journal of Computer Aided Chemistry ◽

10.2751/jcac.5.62 ◽

2004 ◽

Vol 5 ◽

pp. 62-69 ◽

Cited By ~ 4

Author(s):

Fumitaka Sugiura ◽

Naoya Tsumura ◽

Hiroshi Kobayashi ◽

Noriyuki Kurita

Keyword(s):

Electronic Properties ◽

Molecular Orbital ◽

Cancer Metastasis ◽

Molecular Orbital Calculations

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Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2021.108047 ◽

2021 ◽

pp. 108047

Author(s):

Kyohei Imai ◽

Ryosuke Saito ◽

Takuya Ezawa ◽

Satoshi Sugiyama ◽

Ingebrigt Sylte ◽

...

Keyword(s):

Ab Initio ◽

Molecular Mechanics ◽

Molecular Orbital ◽

Selective Inhibitor ◽

Molecular Orbital Calculations ◽

Zinc Metalloprotease

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Electronic properties of DNA binding site in transcription OmpR family: semiempirical molecular orbital calculations

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00462-7 ◽

2003 ◽

Vol 372 (3-4) ◽

pp. 583-589 ◽

Cited By ~ 3

Author(s):

Noriyuki Kurita ◽

Yasuo Sengoku ◽

Hideo Sekino

Keyword(s):

Dna Binding ◽

Binding Site ◽

Electronic Properties ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Dna Binding Site ◽

Semiempirical Molecular Orbital

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Synthesis, crystal structure, molecular orbital calculations and electronic properties of 2,3-di(2-pyridyl)naphtho[2,3-f ]quinoxaline-7,12-quinone (Aqdpp)

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/a707858g ◽

1998 ◽

pp. 877-884 ◽

Cited By ~ 11

Author(s):

Rosa López ◽

Daphne Boys ◽

Bárbara Loeb ◽

Fernando Zuloaga

Keyword(s):

Crystal Structure ◽

Electronic Properties ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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The application of photoemission, molecular orbital calculations, and molecular mechanics to the silver–poly(p‐phenylene sulfide) interface

The Journal of Chemical Physics ◽

10.1063/1.461733 ◽

1991 ◽

Vol 95 (6) ◽

pp. 4641-4649 ◽

Cited By ~ 27

Author(s):

L. J. Gerenser ◽

K. E. Goppert‐Berarducci ◽

R. C. Baetzold ◽

J. M. Pochan

Keyword(s):

Molecular Mechanics ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Phenylene Sulfide

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Molecular Orbital Calculations on Electronic Properties and Lithium Storage of Substituted Disordered Carbons

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals ◽

10.1080/10587250008025502 ◽

2000 ◽

Vol 340 (1) ◽

pp. 413-418 ◽

Cited By ~ 4

Author(s):

Noriyuki Kurita

Keyword(s):

Electronic Properties ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Lithium Storage

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Combined molecular mechanics (MM2) and molecular orbital (AM1) study of reriplanone-a and analogues. Evaluation of biological activity from electronic properties and geometries. Part 2

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29930001167 ◽

1993 ◽

pp. 1167-1173 ◽

Cited By ~ 3

Author(s):

Kazuko Shimazaki ◽

Masataka Mori ◽

Kentaro Okada ◽

Tatsuji Chuman ◽

Shigefumi Kuwahara ◽

...

Keyword(s):

Biological Activity ◽

Electronic Properties ◽

Molecular Mechanics ◽

Molecular Orbital

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Molecular mechanics and molecular orbital calculations on halogenated derivatives of thymidine exhibiting anti-viral activity

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)80029-l ◽

1992 ◽

Vol 276 ◽

pp. 149-158 ◽

Cited By ~ 2

Author(s):

P.C. Yates ◽

S.T. Patel

Keyword(s):

Molecular Mechanics ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Viral Activity ◽

Derivatives Of

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Molecular mechanics and all-electron fragment molecular orbital calculations on mutated polyglutamine peptides

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.12.019 ◽

2010 ◽

Vol 944 (1-3) ◽

pp. 12-20 ◽

Cited By ~ 7

Author(s):

Bryan M.B. Van Schouwen ◽

Miki Nakano ◽

Hirofumi Watanabe ◽

Shigenori Tanaka ◽

Heather L. Gordon ◽

...

Keyword(s):

Molecular Mechanics ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital

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Lasing action in a family of perylene derivatives: singlet absorption and emission spectra, triplet absorption and oxygen quenching constants, and molecular mechanics and semiempirical molecular orbital calculations

The Journal of Physical Chemistry ◽

10.1021/j100199a032 ◽

1992 ◽

Vol 96 (20) ◽

pp. 7988-7996 ◽

Cited By ~ 175

Author(s):

Mahin Sadrai ◽

Linda Hadel ◽

Ronald R. Sauers ◽

Syeda Husain ◽

Karsten Krogh-Jespersen ◽

...

Keyword(s):

Molecular Mechanics ◽

Molecular Orbital ◽

Emission Spectra ◽

Molecular Orbital Calculations ◽

Oxygen Quenching ◽

Absorption And Emission ◽

Absorption And Emission Spectra ◽

Perylene Derivatives ◽

Semiempirical Molecular Orbital ◽

Triplet Absorption

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