The Database of Macromolecular Motions is a bioinformatics database and software-as-a-service tool that attempts to categorize macromolecular motions, sometimes...

structures of a protein (as in Database of Molecular Motions). They can also be suggested by sampling in extensive molecular dynamics trajectories and principal...

can be inferred by comparing different structures of a protein (as in Database of Molecular Motions), or they can be directly observed using spectra measured...

than one decade. Amongst other things, he is noted for the Database of Molecular Motions which was developed with Mark Gerstein while a PhD Candidate...

geometry Molecular Hamiltonian Molecular ion Molecular modelling Molecular promiscuity Molecular orbital Non-covalent bonding Periodic systems of small molecules...

structures of a protein (as in Database of Molecular Motions). They can also be suggested by sampling in extensive molecular dynamics trajectories and principal...

of motion is molecular vibration, which corresponds to internal motions of the atoms such as bond stretching and bond angle variation. The molecular vibrations...

Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in...

Molecular machines are a class of molecules typically described as an assembly of a discrete number of molecular components intended to produce mechanical...

molecular motions. In this same work he introduced the concept of mean free path of a particle. In 1859, after reading a paper about the diffusion of...