منابع مشابه
3dSS: 3D structural superposition
3dSS is a web-based interactive computing server, primarily designed to aid researchers, to superpose two or several 3D protein structures. In addition, the server can be effectively used to find the invariant and common water molecules present in the superposed homologous protein structures. The molecular visualization tool RASMOL is interfaced with the server to visualize the superposed 3D st...
متن کاملSuperimposé: a 3D structural superposition server
The Superimposé webserver performs structural similarity searches with a preference towards 3D structure-based methods. Similarities can be detected between small molecules (e.g. drugs), parts of large structures (e.g. binding sites of proteins) and entire proteins. For this purpose, a number of algorithms were implemented and various databases are provided. Superimposé assists the user regardi...
متن کاملSuperposition with Structural Induction(Paper)
Superposition-based provers have been successfully used to discharge proof obligations stemming from proof assistants. However, many such obligations require induction to be proved. We present a new extension of typed superposition that can perform structural induction. Several inductive goals can be attempted within a single saturation loop, by leveraging AVATAR [1]. Lemmas obtained by general...
متن کاملOvercoming sequence misalignments with weighted structural superposition.
An appropriate structural superposition identifies similarities and differences between homologous proteins that are not evident from sequence alignments alone. We have coupled our Gaussian-weighted RMSD (wRMSD) tool with a sequence aligner and seed extension (SE) algorithm to create a robust technique for overlaying structures and aligning sequences of homologous proteins (HwRMSD). HwRMSD over...
متن کاملMultiple Semi-flexible 3D Superposition of Drug-sized Molecules Multiple Semi-flexible 3D Superposition of Drug-sized Molecules
In this paper we describe a new algorithm for multiple semi-flexible superpositioning of drug-sized molecules. The algorithm identifies structural similarities of two or more molecules. When comparing a set of molecules on the basis of their three-dimensional structures, one is faced with two main problems. (1) Molecular structures are not fixed but flexible, i.e., a molecule adopts different f...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Nucleic Acids Research
سال: 2006
ISSN: 0305-1048,1362-4962
DOI: 10.1093/nar/gkl036