Robuta

https://pubmed.ncbi.nlm.nih.gov/9480776/ An all-atom distance-dependent conditional probability discriminatory function for protein... We present a formalism to compute the probability of an amino acid sequence conformation being native-like, given a set of pairwise atom-atom distances. The... all atom conditional probability distance dependent https://research.utwente.nl/en/publications/all-atom-molecular-dynamics-simulations-showing-the-dynamics-of-s/ All-atom molecular dynamics simulations showing the dynamics of small organic molecules in... all atom molecular dynamics https://pubmed.ncbi.nlm.nih.gov/34056301/ All-Atom Molecular Dynamics Elucidating Molecular Mechanisms of Single-Transmembrane Model Peptide... Protein-protein interactions between transmembrane helices are essential elements for membrane protein structures and functions. To understand the effects of... all atom molecular dynamics https://publikationen.bibliothek.kit.edu/230083287 Free-energy based all-atom protein modelling with worldwide di... free energy all atom based protein modelling https://scholarworks.iu.edu/dspace/items/bebe1931-cc8b-412a-9fed-92e882448ebd All-Atom Multiscale Computational Modeling Of Viral Dynamics Viruses are composed of millions of atoms functioning on supra-nanometer length scales over timescales of milliseconds or greater. In contrast, individual... all atom computational modeling multiscale viral dynamics https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2017-2018/1728.html namd-l: Re: Reverting coarse-grain system to all-atom system to all namd reverting coarse grain