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WHAT IF Software
WHAT IF is a computer program used in a wide variety of computational (''in silico'') macromolecular structure research fields. The software provides a flexible environment to display, manipulate, and analyze small and large molecules, proteins, nucleic acids, and their interactions. History The first version of the WHAT IF software was developed by Gert Vriend in 1987 at the University of Groningen, Groningen, Netherlands. Most of its development occurred during 1989–2000 at the European Molecular Biology Laboratory (EMBL) in Heidelberg, Germany. Other contributors include Chris Sander, and Wolfgang Kabsch. In 2000, maintenance of the software moved to the Dutch Center for Molecular and Biomolecular Informatics (CMBI) in Nijmegen, Netherlands. It is available for in-house use, or as a web-based resource. , the original paper describing WHAT IF has been cited more than 4,000 times. Software WHAT IF provides a flexible environment to display, manipulate, and analyze small mole ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chris Sander (scientist)
Chris Sander is a computational biologist based at the Dana-Farber Cancer Center and Harvard Medical School. Previously he was chair of the Computational Biology Programme at the Memorial Sloan–Kettering Cancer Center in New York City. In 2015, he moved his lab to the Dana–Farber Cancer Institute and the Cell Biology Department at Harvard Medical School. Education Sander originally trained as a physicist receiving his undergraduate degree from the University of Berlin in 1967. After a period studying at the University of California, Berkeley and the Niels Bohr Institute in Copenhagen, he gained his PhD degree in theoretical physics from the State University of New York in 1975. His thesis was titled ''Analytic properties of bound state wave functions''. Research Sander credits his move from theoretical physics to computational biology to Fred Sanger's 1977 landmark paper in ''Nature'', in which the nucleotide sequence of bacteriophage φX174 was published. Sander has made m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule
A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are typically not consid ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
