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Current Opinion in Structural Biology, ISSN 0959-440X, 02/2017, Volume 42, pp. 106 - 116
The biological functions of protein molecules are intimately dependent on their conformational dynamics. This aspect is particularly evident for disordered... 
INTRINSICALLY DISORDERED PROTEINS | CONFORMATIONAL ENSEMBLES | NMR | COMPLEX | FREE-ENERGY LANDSCAPES | BIOCHEMISTRY & MOLECULAR BIOLOGY | CROSS-LINKING | ARCHITECTURE | FORCE-FIELD | MOLECULAR-DYNAMICS SIMULATIONS | BAYESIAN-INFERENCE | CELL BIOLOGY | Models, Molecular | Entropy | Proteins - chemistry | Humans | Proteins | Analysis
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2017, Volume 57, Issue 11, pp. 2719 - 2728
We assess and compare the performance of eight commercial conformer ensemble generators (ConfGen, ConfGenX, cxcalc, iCon, MOE LowModeMD, MOE Stochastic, MOE... 
CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | ALGORITHM | COMPUTER SCIENCE, INFORMATION SYSTEMS | FORCE-FIELD | PROTEIN DATA-BANK | CONFORMATIONAL SEARCH | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 05/2012, Volume 52, Issue 5, pp. 1262 - 1274
Journal Article
Structure, ISSN 0969-2126, 10/2018, Volume 26, Issue 10, pp. 1346 - 1359.e5
BAX and BAK are essential mediators of intrinsic apoptosis that permeabilize the mitochondrial outer membrane. BAX activation requires its translocation from... 
apoptosis | BAX | translocation | allostery | ACTIVATION | PROTEIN | MECHANISM | CONFORMATIONAL HETEROGENEITY | BIOCHEMISTRY & MOLECULAR BIOLOGY | MITOCHONDRIA | BH3 DOMAINS | APOPTOTIC ACTIVITY | CELL BIOLOGY | BIOPHYSICS | CYTOSOL | THERMOSTABILITY | ENTROPY | Oligomers | Viral antibodies | Proteins | Analysis | Crystals | Antibodies | Structure
Journal Article
mAbs, ISSN 1942-0862, 08/2019, Volume 11, Issue 6, pp. 1077 - 1088
We analyzed pairs of protein-binding, peptide-binding and hapten-binding antibodies crystallized as complex and in the absence of the antigen with and without... 
conformational ensemble | Markov-state models | CDR-H3 loop | crystal structure | dominant solution structure | molecular dynamics | conformational selection | MEDICINE, RESEARCH & EXPERIMENTAL | MECHANISM | ANTIGEN-BINDING | INDUCED-FIT | STRUCTURAL EVIDENCE | FOLDING FUNNELS | CANONICAL STRUCTURES | DIVERSITY | MOLECULAR-DYNAMICS SIMULATIONS | MARKOV STATE MODELS
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 9/2011, Volume 108, Issue 39, pp. 16247 - 16252
Journal Article