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Journal of Chemical Theory and Computation, ISSN 1549-9618, 02/2018, Volume 14, Issue 2, pp. 991 - 997
Determination of protein-protein binding affinity values is key to understanding various underlying biological phenomena, such as how missense variations... 
Proteins | Binding | Computer simulation | Predictions | Molecular dynamics | Affinity | Mathematical models | Sampling | Molecular chains | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 336a - 336a
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 145a - 145a
Journal Article
BIOPHYSICAL JOURNAL, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 291A - 291A
Conference Proceeding
PLoS ONE, ISSN 1932-6203, 03/2019, Volume 14, Issue 3, pp. e0211093 - e0211093
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 10/2013, Volume 81, Issue 10, pp. 1738 - 1747
Journal Article
Physical Review Letters, ISSN 0031-9007, 01/2006, Volume 96, Issue 2, pp. 028105 - 028105
We extend replica-exchange simulation in two ways and apply our approaches to biomolecules. The first generalization permits exchange simulation between models... 
MONTE-CARLO | PHYSICS, MULTIDISCIPLINARY | ALGORITHM | DYNAMICS | COMPUTER-SIMULATION | FORCE-FIELD | FREE-ENERGY | MOLECULAR MECHANICS | ATOM | Models, Molecular | Algorithms | Proteins - chemistry | Hydrogen Bonding | Peptides - chemistry | Index Medicus
Journal Article
American journal of physics, ISSN 0002-9505, 2011, Volume 79, Issue 2, pp. 214 - 216
Computer simulations are used to develop a deeper understanding of Bernoulli's principle. Hard disks undergoing elastic collisions are injected into a Venturi... 
Physik | Bernoulli-Gesetz | Simulation | Physikunterricht | Simulationsprogramm | Strömungsmechanik | PHYSICS, MULTIDISCIPLINARY | EDUCATION, SCIENTIFIC DISCIPLINES | Computer-generated environments | Research | Collisions (Nuclear physics) | Computer simulation | Materials science | Pipes | Physics | Materials elasticity
Journal Article
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2018, Volume 114, Issue 3, pp. 528a - 528a
Journal Article
Intrinsically Disordered Proteins, ISSN 2169-0693, 01/2015, Volume 3, Issue 1, pp. e984565 - e984565
A short segment of the disordered p53 transactivation domain (p53TAD) forms an amphipathic helix when bound to the E3 ubiquitin ligase, MDM2. In the unbound... 
chemical shift | Intrinsically disordered proteins | ensemble generation | nuclear magnetic resonance | re-weighting | p53 | Ensemble generation | Chemical shift | Re-weighting | Nuclear magnetic resonance | P53
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2017, Volume 112, Issue 3, pp. 196a - 196a
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 11/2009, Volume 30, Issue 14, pp. 2297 - 2304
Journal Article
Chemistry, ISSN 0947-6539, 03/2011, Volume 17, Issue 11, p. 3157
  Single nucleotide polymorphisms (SNPs) are important markers in disease genetics and pharmacogenomic studies. Oligodeoxyribonucleotides (ONs) modified with... 
Fluorescence | Deoxyribonucleic acid--DNA
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2004, Volume 120, Issue 23, pp. 10876 - 10879
We introduce a straightforward, single-ensemble, path sampling approach to calculate free energy differences based on Jarzynski's relation. For a... 
THERMODYNAMIC INTEGRATION | STATES | EQUILIBRIUM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CONVERGENCE | ERROR | JARZYNSKIS EQUALITY | SIMULATIONS | Models, Molecular | Biopolymers - chemistry | Energy Transfer | Models, Chemical | Computer Simulation | Index Medicus | Physics - Computational Physics
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 04/2010, Volume 114, Issue 16, pp. 5431 - 5434
Journal Article
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