In computational chemistry, conformational ensembles, also known as structural ensembles, are experimentally constrained computational models describing...

amounts of experimental data to the conformations which is a very computationally demanding task. The conformational ensembles were generated for a number of...

modifications, protein interactions or alternative splicing modulate the conformational ensembles of fuzzy complexes, to fine-tune affinity or specificity of interactions...

study conformational flexibility of IDPs and the kinetics of structural transitions, optical tweezers for high-resolution insights into the ensembles of...

Allosteric enzymes are enzymes that change their conformational ensemble upon binding of an effector (allosteric modulator) which results in an apparent...

assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. High-quality images and movies can be created. Chimera includes...

Klaus R. (2019). "Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties". Frontiers in Immunology...

are not strictly static objects, but rather populate ensembles of (sometimes similar) conformations. Transitions between these states occur on a variety...

Lorber, DM; Shoichet, BK (1998). "Flexible ligand docking using conformational ensembles". Protein Sci. 7 (4): 938–950. doi:10.1002/pro.5560070411. PMC 2143983...

the induced fit model, and the conformational selection model. The latter two are not mutually exclusive: conformational selection can be followed by a...