DAMBORSKÝ, Jiří, Martin PETŘEK, Pavel BANÁŠ and Michal OTYEPKA. Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles. Biotechnology Journal. 2006, 1/2006, No 1, p. 9999-10007. ISSN 1860-6768. |
Other formats:
BibTeX
LaTeX
RIS
@article{700055, author = {Damborský, Jiří and Petřek, Martin and Banáš, Pavel and Otyepka, Michal}, article_number = {1}, keywords = {Tunnels; Proteins; Nucleic Acids; Inorganic Materials; Molecular Ensembles}, language = {eng}, issn = {1860-6768}, journal = {Biotechnology Journal}, title = {Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles.}, volume = {1/2006}, year = {2006} }
TY - JOUR ID - 700055 AU - Damborský, Jiří - Petřek, Martin - Banáš, Pavel - Otyepka, Michal PY - 2006 TI - Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles. JF - Biotechnology Journal VL - 1/2006 IS - 1 SP - 9999 EP - 9999 SN - 18606768 KW - Tunnels KW - Proteins KW - Nucleic Acids KW - Inorganic Materials KW - Molecular Ensembles N2 - BACKGROUND. The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, pockets and cavities in dynamic and static protein structures to the outside solvent. RESULTS. The algorithm to perform a skeleton search was based on a reciprocal distance function grid that was developed and implemented for the CAVER program. The program identifies and visualizes routes from the interior of the protein to the bulk solvent. CAVER was primarily developed for proteins, but the algorithm is sufficiently robust to allow the analysis of any molecular system, including nucleic acids or inorganic material. Calculations can be performed using discrete structures from crystallographic analysis and NMR experiments as well as with trajectories from molecular dynamics simulations. ER -
DAMBORSKÝ, Jiří, Martin PETŘEK, Pavel BANÁŠ and Michal OTYEPKA. Identification of Tunnels in Proteins, Nucleic Acids, Inorganic Materials and Molecular Ensembles. \textit{Biotechnology Journal}. 2006, 1/2006, No~1, p.~9999-10007. ISSN~1860-6768.
|