Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules...

Macromolecular docking Molecular mechanics Protein structure Protein design Software for molecular mechanics modeling List of protein-ligand docking software...

The phenomenon of macromolecular crowding alters the properties of molecules in a solution when high concentrations of macromolecules such as proteins...

prediction Protein structure prediction software Gene prediction Macromolecular docking Protein–DNA interaction site predictor Two-hybrid screening FastContact...

In molecular biology, the term macromolecular assembly (MA) refers to massive chemical structures such as viruses and non-biologic nanoparticles, cellular...

prediction and protein–protein docking prediction, respectively. Rosetta consistently ranks among the foremost docking predictors, and is one of the best...

The Cluster of Excellence Frankfurt "Macromolecular Complexes" (CEF) was established in 2006 by Goethe University Frankfurt together with the Max Planck...

Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular...

such as proteins, RNA, and DNA. It deals with generalizations about macromolecular 3D structures such as comparisons of overall folds and local motifs...

necessarily referring to quantum mechanics. Examples are molecular docking, protein-protein docking, drug design, combinatorial chemistry. The fitting of shape...

software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer...

for high-throughput virtual screening in the cloud. Drug design Macromolecular docking Molecular mechanics Molecular modelling Protein structure Protein...

structure prediction, protein function prediction, prediction of macromolecular docking and interactions, network modelling for systems biology and logic-based...

peptide prediction, homology modeling and loop simulations, flexible macromolecular docking and energy refinement. However the complexity of problems related...

and opened in a molecular docking software. There are many programs that can facilitate molecular docking such as AutoDock, DOCK, FlexX, HYDRO, LIGPLOT,...

Computational docking plays a vital role in structural biology, with software providing a user-friendly web platform for modeling various macromolecular interactions...

techniques include molecular docking, structure-based pharmacophore prediction, and molecular dynamics simulations. Molecular docking is the most used structure-based...

object-oriented programming library for manipulating and analyzing macromolecular structures, protein complexes and molecular dynamics trajectories A...

design. In particular he is a developer of AutoDock, the most widely-used program used for molecular docking. His main research focus areas are HIV drug...

investigates protein structure, assembly, and interactions within a larger macromolecular assembly. It was originally coined in reference to the use of limited...

Lossinsky, A. S.; Shivers, R. R. (2004). "Structural pathways for macromolecular and cellular transport across the blood-brain barrier during inflammatory...

synchrotrons. Since then, cryo-electron microscopy (cryo-EM) of large macromolecular assemblies has been developed. Cryo-EM uses protein samples that are...

interactions can be modulated using stimuli like ionic strength of the buffer, macromolecular crowding, temperature, pH and electric field. This can lead to reversible...

sparsely-populated states of macromolecules, which are important in macromolecular interactions but invisible to conventional structural and biophysical...

for rapid detection and quantitative characterization of reversible macromolecular hetero-associations in solution". Analytical Biochemistry. 346 (1):...

Peraro M (2014). "New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly". In Karabencheva-Christova T (ed.). Biomolecular Modelling...

Doxorubicin interacts with DNA by intercalation and inhibition of macromolecular biosynthesis. This inhibits the progression of topoisomerase II, an...

Motoike H, D'Armiento J, Marks AR, Kass RS (Jan 2002). "Requirement of a macromolecular signaling complex for beta adrenergic receptor modulation of the KCNQ1-KCNE1...

Richardson DC (January 2010). "MolProbity: all-atom structure validation for macromolecular crystallography". Acta Crystallographica. Section D, Biological Crystallography...

Grubmüller, H. (1995). "Predicting slow structural transitions in macromolecular systems: Conformational flooding". Phys. Rev. E. 52 (3): 2893–2906....