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2011, RSC biomolecular sciences, ISBN 9781849730099, Volume no. 22, xv, 356
This book provides a complete overview of current techniques to identify ligands, characterise their binding sites and understand binding mechanisms. Suitable... 
Models, Molecular | Protein Binding | Ligands | Ligand binding (Biochemistry) | Spectrum Analysis | methods | Science | General | Chemistry
Book
Journal of Computational Chemistry, ISSN 0192-8651, 11/2018, Volume 39, Issue 30, pp. 2551 - 2557
Molecular dynamics (MD) simulations are widely used to explore the conformational space of biological macromolecules. Advances in hardware, as well as in... 
dimensionality reduction | stochastic proximity embedding | villin headpiece | molecular dynamics | FIT | MOTION | FREE-ENERGY LANDSCAPES | TRAJECTORIES | HP35 | MOLECULAR-DYNAMICS SIMULATIONS | CHEMISTRY, MULTIDISCIPLINARY | Molecular dynamics | Analysis
Journal Article
Nature Communications, ISSN 2041-1723, 12/2017, Volume 8, Issue 1, pp. 1556 - 7
The transcription co-activator complex SAGA is recruited to gene promoters by sequence-specific transcriptional activators and by chromatin modifications to... 
DNA-PKCS | ACETYLTRANSFERASE COMPLEX | COACTIVATOR | STRAND BREAK REPAIR | INITIATION | PROTEIN-KINASE | MULTIDISCIPLINARY SCIENCES | ARCHITECTURE | COFACTOR | STRUCTURE PREDICTION | SUBUNIT | Initiation complex | Transcription factors | Transformation | Chromatin | Yeast | Complex formation | Transcription | Homology | Helices | Protein structure | VP16 protein
Journal Article
Acta Crystallographica Section F: Structural Biology Communications, 02/2019, Volume 75, Issue 2, pp. 98 - 104
Journal Article
BBA - General Subjects, ISSN 0304-4165, 08/2018, Volume 1862, Issue 8, p. 1810
Nuclear hormone receptors (NRs) constitute a large family of multi-domain ligand-activated transcription factors. Dimerization is essential for their... 
Corticosteroids | Analysis | Estrogen | Physiological aspects | Genetic transcription | DNA binding proteins | Steroids
Journal Article
Nature Communications, ISSN 2041-1723, 12/2019, Volume 10, Issue 1, pp. 253 - 12
The upregulation of PPAR gamma/RXR alpha transcriptional activity has emerged as a key event in luminal bladder tumors. It renders tumor cell growth PPAR... 
COMPLEX | LIGAND-BINDING | PROTEIN | COMPREHENSIVE MOLECULAR CHARACTERIZATION | MULTIDISCIPLINARY SCIENCES | DYNAMICS | RECEPTOR | REVEALS | BASAL | Pathogenicity | Pathogens | Reactive oxygen species | TLR7 protein | Oxidase | CYBB protein | Toll-like receptors | Viruses | Infections | Life Sciences | Human health and pathology | Urology and Nephrology | Biochemistry, Molecular Biology | Genomics | Cancer
Journal Article
Nucleic acids research, ISSN 0305-1048, 07/2016, Volume 44, Issue 1, pp. W401 - W405
With the increasing number of protein structures available, there is a need for tools capable of automating the comparison of ensembles of structures, a common... 
ALIGNMENT | BIOCHEMISTRY & MOLECULAR BIOLOGY | SEQUENCE | Computers | Sequence Alignment | Algorithms | Databases, Protein | Humans | Computational Biology | Software | Internet | Proteins - chemistry | Cluster Analysis | Life Sciences | Biochemistry, Molecular Biology | Web Server issue
Journal Article
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 10/2009, Volume 113, Issue 43, pp. 11783 - 11792
Journal Article
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 03/2000, Volume 104, Issue 8, pp. 1720 - 1735
A major complication in hybrid QM/MM methods is the treatment of the frontier between the quantum part, describing the reactive region, and the classical part,... 
MOLECULAR-DYNAMICS | ENZYME REACTION | MODELS | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATION | SYSTEMS | HYBRID QUANTUM | PARAMETERS | CATALYTIC MECHANISM | PROTEASE | PROGRAM | Mechanical chemistry | Analysis | Atoms | Chemical bonds | Chemical reactions | Research | Quantum theory
Journal Article
PLoS ONE, ISSN 1932-6203, 01/2017, Volume 12, Issue 1, p. e0171043
Retinoic acid (RA) plays key roles in cell differentiation and growth arrest through nuclear retinoic acid receptors (RARs), which are ligand-dependent... 
Transcription factors | Ligand binding (Biochemistry) | Research | Tretinoin
Journal Article
Journal Article