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Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 10/2013, Volume 81, Issue 10, pp. 1699 - 1708
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 144
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 08/2018, Volume 149, Issue 7, p. 072314
Journal Article
Biophysical Journal, ISSN 0006-3495, 2011, Volume 100, Issue 3, pp. 146a - 147a
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2018, Volume 8, Issue 1, pp. 16478 - 13
Poly-ubiquitin (poly-Ub) is involved in various cellular processes through the linkage-specific recognition of Ub-binding domains (UBD). In this study, using... 
PHASE-SEPARATION | KAPPA-B ACTIVATION | MODELS | STRUCTURAL BASIS | MULTIDISCIPLINARY SCIENCES | BINDING PROTEINS | REPLICA-EXCHANGE METHOD | SYSTEMS | POLYUBIQUITIN CHAINS | CONFORMATION | FREE-ENERGY PROFILES | Ubiquitin | Molecular dynamics | Signal transduction | Transduction | Zinc finger proteins
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 10/2014, Volume 10, Issue 10
  Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an... 
Studies | Signal transduction | Solvents | Protein folding | Metabolism | Binding sites | Crystal structure
Journal Article
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 02/2017, Volume 121, Issue 4, pp. 731 - 740
Protein–ligand interactions are frequently coupled with protein structural changes. Focusing on the coupling, we present the free-energy surface (FES) of the... 
PATHWAYS | MOLECULAR-DYNAMICS | MODELS | KINETICS | CHEMISTRY, PHYSICAL | GLUTAMINE-BINDING PROTEIN | SYSTEMS | GENERATION | SIMULATIONS | TRANSITIONS | ASSOCIATION | Thermodynamics | Humans | Carrier Proteins - chemistry | Ligands | Protein Conformation | Glutamine - chemistry | Molecular Dynamics Simulation | Usage | Glutamine synthetase | Research | Interactomes
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2016, Volume 661, pp. 279 - 283
Multiscale enhanced sampling (MSES) calculates the configurational ensemble of all-atom (MM) protein systems with the help of coupling to a coarse-grained (CG)... 
Multiscale enhanced sampling | Chignolin | All-atom model | Adiabatic separation | TRANSITION | CONFORMATIONAL-CHANGE | FORCE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SIMULATIONS | FREE-ENERGY | EFFICIENT
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2009, Volume 96, Issue 3, pp. 407a - 407a
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2009, Volume 96, Issue 3, pp. 321a - 321a
Journal Article