Journal Article (568)
21.
Journal Article
19 (8), e1010531 (2023)
Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes. PLoS Computational Biology 22.
Journal Article
19 (14), pp. 4770 - 4779 (2023)
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of Chemical Theory and Computation 23.
Journal Article
12 (7), pp. 841 - 847 (2023)
Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? ACS Macro Letters 24.
Journal Article
159 (2), 024107 (2023)
Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors. The Journal of Chemical Physics 25.
Journal Article
10 (18), 2207472 (2023)
Free Standing Dry and Stable Nanoporous Polymer Films Made through Mechanical Deformation. Advanced Science 26.
Journal Article
127 (24), pp. 5494 - 5508 (2023)
Water Harvesting by Thermoresponsive Ionic Liquids: A Molecular Dynamics Study of the Water Absorption Kinetics and of the Role of Nanostructuring. Journal of Physical Chemistry B 27.
Journal Article
8 (22), e202301018 (2023)
N-Chlorosuccinimide Mediated Direct C-H Thiocyanation of 1-Aryl-5-pyrazolones at Room Temperature. ChemistrySelect 28.
Journal Article
122 (11), pp. 2092 - 2098 (2023)
Induced asymmetries in membranes. Biophysical Journal 29.
Journal Article
35 (6), 064120 (2023)
Crystallization in highly supersaturated, agitated sucrose solutions. Physics of Fluids 30.
Journal Article
158 (20), 204502 (2023)
Finite-size excess-entropy scaling for simple liquids. The Journal of Chemical Physics 31.
Journal Article
12, pp. 679 - 684 (2023)
Data-Driven Identification and Analysis of the Glass Transition in Polymer Melts. ACS Macro Letters 32.
Journal Article
56 (9), pp. 3272 - 3285 (2023)
Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules 33.
Journal Article
19 (5), 054007 (2023)
Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy. Physical Review Applied 34.
Journal Article
158 (14), 144109 (2023)
Fast conformational clustering of extensive molecular dynamics simulation data. The Journal of Chemical Physics 35.
Journal Article
137, 108399 (2023)
Tunable oleosome-based oleogels: Influence of polysaccharide type for polymer bridging-based structuring. Food Hydrocolloids 36.
Journal Article
13 (1), 4717 (2023)
Reduced bimolecular charge recombination in efficient organic solar cells comprising non-fullerene acceptors. Scientific Reports 37.
Journal Article
107 (2), 024141 (2023)
Sampling rare event energy landscapes via birth-death augmented dynamics. Physical Review E 38.
Journal Article
12 (2), pp. 234 - 240 (2023)
Can Polymer Helicity Affect Topological Chirality of Polymer Knots? ACS Macro Letters 39.
Journal Article
35 (2), 027131 (2023)
Tunable oleosome-based oleogels: Effect of polysaccharide architecture on polymer bridging-based structuring. Physics of Fluids 40.
Journal Article
11 (2), 021105 (2023)
Ambipolar charge transport in a non-fullerene acceptor. APL Materials