The SURFNET program generates molecular surfaces and gaps between surfaces from 3D coordinates upplied in a PDB-format file. The gap regions can correspond to the voids between two or more molecules, or to the internal cavities and surface grooves within a single molecule. The program is particularly useful in clearly delineating the regions of the active site of a protein. It can also generate 3D contour surfaces of the density distributions of any set of 3D data points. All output surfaces can be viewed interac-tively, along with the molecules or data points in question, using some of the best-known molecular modeling pack-ages. In addition, PostScript output is available, and the generated surfaces can be rendered using various other gra...
Questions of chemical reactivity can often be cast as questions of molecular geometry. Common geomet...
The purpose of this project is to enable high-quality visualization of the primary data from protein...
In the present work, we describe and discuss two interactive visual-ization techniques recently adde...
〈Summary 〉 3D structure of proteins deeply relates to their functionality. It is well-known that fun...
A method for visualizing molecular surfaces is described that uses a grid to store the distance to t...
International audienceMolecular cartography using two-dimensional (2D) representation of protein sur...
The accessible surface of a macromolecule is a significant determinant of its action. The interactio...
© 2016 Kontopoulos et al.Background: The term molecular cartography encompasses a family of computat...
Molecules interact through their surface residues. Calculation of the molecular sur-face of a protei...
Summary: Voro3D is an original easy-to-use tool which provides a brand new point of view on protein ...
International audienceProtein structures are an ensemble of atoms determined experimentally mostly b...
Summary: Voro3D is an original easy-to-use tool, which provides a brand new point of view on protein...
The elucidation of structural interfaces between proteins and inorganic surfaces is a crucial aspect...
Abstract: Coarse-grained modeling of molecular fluids is often based on nonspherical convex rigid bo...
Mathematica notebook containing 3D graphics for Fig 6 that can be manually rotated
Questions of chemical reactivity can often be cast as questions of molecular geometry. Common geomet...
The purpose of this project is to enable high-quality visualization of the primary data from protein...
In the present work, we describe and discuss two interactive visual-ization techniques recently adde...
〈Summary 〉 3D structure of proteins deeply relates to their functionality. It is well-known that fun...
A method for visualizing molecular surfaces is described that uses a grid to store the distance to t...
International audienceMolecular cartography using two-dimensional (2D) representation of protein sur...
The accessible surface of a macromolecule is a significant determinant of its action. The interactio...
© 2016 Kontopoulos et al.Background: The term molecular cartography encompasses a family of computat...
Molecules interact through their surface residues. Calculation of the molecular sur-face of a protei...
Summary: Voro3D is an original easy-to-use tool which provides a brand new point of view on protein ...
International audienceProtein structures are an ensemble of atoms determined experimentally mostly b...
Summary: Voro3D is an original easy-to-use tool, which provides a brand new point of view on protein...
The elucidation of structural interfaces between proteins and inorganic surfaces is a crucial aspect...
Abstract: Coarse-grained modeling of molecular fluids is often based on nonspherical convex rigid bo...
Mathematica notebook containing 3D graphics for Fig 6 that can be manually rotated
Questions of chemical reactivity can often be cast as questions of molecular geometry. Common geomet...
The purpose of this project is to enable high-quality visualization of the primary data from protein...
In the present work, we describe and discuss two interactive visual-ization techniques recently adde...