11 large divergence and low diversity suggest genetically informed conservation strategies for the endangered virgin islands boa (chilabothrus monensis)

12 Investigation of the properties of a 1″×1″ LaBr3:Ce scintillator

13 Measuring energy dependent polarization in soft γ-rays using Compton scattering in PoGOLite

14 Influence of inertia and viscoelasticity in entry flows through an abrupt annular contraction

15 Molecular simulations of MOF membranes for separation of ethane/ethene and ethane/methane mixtures.

16 Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study.

17 Catalysis and surface organometallic chemistry: A view from theory and simulations

18 Steered molecular dynamics simulations of a type IV pilus probe initial stages of a force-induced conformational transition.

19 Numerical simulations of seasonally oscillated groundwater dynamics in coastal confined aquifers.

20 Impact of the Position of the Chemically Modified 5-Furyl-2′-Deoxyuridine Nucleoside on the Thrombin DNA Aptamer–Protein Complex: Structural Insights into Aptamer Response from MD Simulations

21 Scenario-Based Tsunami Hazard Assessment For Java (Sunda) Trench Using Monte Carlo Simulations

22 Scenario-Based Tsunami Hazard Assessment For Java (Sunda) Trench Using Monte Carlo Simulations

23 Structure of strongly turbulent premixed n-dodecane–air flames: Direct numerical simulations and chemical explosive mode analysis

24 Designing global climate and atmospheric chemistry simulations for 1 and 10 km diameter asteroid impacts using the properties of ejecta from the K-Pg impact

25 On the radiative impact of aerosols on photolysis rates: comparison of simulations and observations in the Lampedusa island during the ChArMEx/ADRIMED campaign

26 SAXS-restrained ensemble simulations of intrinsically disordered proteins with commitment to the principle of maximum entropy.

27 Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations.

28 In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains.

29 Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis.

30 Atomistic simulations of spin-switch dynamics in multinuclear chain-like triazole spin-crossover molecules

31 The use of simulations in correcting electricity misconceptions of grade 10 south african physical sciences learners

32 Comparison of seasonal surface temperature trend, spatial variability, and elevation dependency from satellite-derived products and numerical simulations over the Tibetan Plateau from 2003 to 2011

33 The Endofullerene HF@C: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule and Symmetry Breaking.

34 Electronic structure of CsPbBrCl perovskites: synthesis, experimental characterization, and DFT simulations.

35 Value at risk (VaR) in uncertainty: Analysis with parametric method and black & scholes simulations

36 Methodology and Epistemology of Computer Simulations and Implications for Science Education

37 Erratum: Computer simulations suggest that prostate enlargement due to benign prostatic hyperplasia mechanically impedes prostate cancer growth (Proceedings of the National Academy of Sciences of the United States of America (2019) 116 (1152–1161) DOI: 10.1073/pnas.1815735116)

38 A Closed-Loop Toolchain for Neural Network Simulations of Learning Autonomous Agents.

39 Comprehensive assessment of the accuracy of CFD-DEM simulations of bubbling fluidized beds

40 Improving the use of computer simulations in the hospitality curriculum

41 Stress response in the daily lives of simulation repeaters. A randomized controlled trial assessing stress evolution over one year of repetitive immersive simulations.

42 Three dimensional mesoscopic scale simulations of buoyancy driven flow and heat mass transfer through randomly packed fiber boards

43 Network analyses of transhumance movements and simulations of foot-and-mouth disease virus transmission among mobile livestock in Cameroon.

44 Surface tension data of n-propane, n-octane and n-dodecane from nucleation simulations

45 From absorption to impedance: Enhancing boundary conditions in room acoustic simulations

46 Investigation of Tympanic Membrane Influences on Middle-Ear Impedance Measurements and Simulations

47 Agent-based simulations of China inbound tourism network.

48 Numerical Simulations of the Lunar Penetrating Radar and Investigations of the Geological Structures of the Lunar Regolith Layer at the Chang’E 3 Landing Site

49 Control of Functionalities in GO: Effect of Bronsted Acids as Supported by Ab Initio Simulations and Experiments.

50 Synthetic aperture radar sensitivity to forest changes: A simulations-based study for the Romanian forests.

51 Thermal safety simulations of transient temperature rise during acoustic radiation force-based ultrasound elastography.

52 Numerical prediction of wear in SAG mills based on DEM simulations

53 Characterization of CsI(Tl) and LYSO(Ce) scintillator detectors by measurements and Monte Carlo simulations.

54 Efficiency evaluation of a ductless Archimedes turbine: Laboratory experiments and numerical simulations

55 Monte Carlo simulations as a decision support to interpret δ N values of nitrate in groundwater.

56 Coarse-grained molecular dynamics simulations of the effect of edge activators on the skin permeation behavior of transfersomes.

57 Coupled TRNSYS-CFD simulations evaluating the performance of PCM plate heat exchangers in an airport terminal building displacement conditioning system

58 Energy Management Strategy for a Bioethanol Isolated Hybrid System: Simulations and Experiments

59 All-Atom Molecular Dynamics Simulations of Dimeric Lung Surfactant Protein B in Lipid Multilayers

60 Quality assessment of atmospheric surface fields over the Baltic Sea from an ensemble of regional climate model simulations with respect to ocean dynamics

61 Toward harmonizing prospective effectiveness assessment for road safety: Comparing tools in standard test case simulations.

62 Generative adversarial networks (GAN) for compact beam source modelling in Monte Carlo simulations.

63 Large-scale ensemble simulations of biomathematical brain arteriovenous malformation models using graphics processing unit computation.

64 Implementation of dual time-stepping strategy of the gas-kinetic scheme for unsteady flow simulations.

65 Flow past a self-oscillating airfoil with two degrees of freedom: measurements and simulations

66 Implementation of beamforming codes in 3D CFD simulations for the localization and visualization of rotating sound sources

67 CFD Modeling of Atmospheric Boundary Layer Simulations in Wind Tunnels

68 A Solar Thermal Application for Mongolian Detached Houses: An Energy, Environmental, and Economic Analysis Based on Dynamic Simulations

69 New methodology for CFD simulations of compact evaporators used in automotive ORC systems

70 Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study.

71 Influence of prestress on ballistic performance of bi-layer ceramic composite armors: Experiments and simulations

72 Large Eddy Simulations on Vertical Axis Hydrokinetic Turbines - Power coefficient analysis for various solidities

73 Assessment and optimization of the power performance of twin vertical axis wind turbines via numerical simulations

74 Molecular dynamics simulations of the binging affinity of 1-hydroxyethane-1, 1-diphosphonic acid (HEDP) with nano-hydroxyapatite and the uptake of Cu<sup>2+</sup> by HEDP-HAP hybrid systems

75 Representing financial data streams in digital simulations to support data flow design for a future Digital Twin

76 Quantitative transient stability assessment in microgrids combining both time-domain simulations and energy function analysis

77 Deep Impact: Geo-Simulations as a Policy Toolkit for Natural Disasters

78 Transmission Control Protocol and Active Queue Management together against congestion: cross-comparison through simulations

79 Concrete constitutive models for low velocity impact simulations

80 2-D Urans Simulations of Vortex Induced Vibrations of Circular Cylinder at Trsl3 Flow Regime

81 Commercial microwave links for urban drainage modelling: The effect of link characteristics and their position on runoff simulations.

82 Editorial: Machine Learning in Biomolecular Simulations.

83 A SUMO-Based Parking Management Framework for Large-Scale Smart Cities Simulations

84 Assimilating spatiotemporal MODIS LAI data with a particle filter algorithm for improving carbon cycle simulations for bamboo forest ecosystems

85 Development and validation of a 1.5 T MR-Linac full accelerator head and cryostat model for Monte Carlo dose simulations.

86 A 3D printed modular phantom for quality assurance of image-guided small animal irradiators: Design, imaging experiments, and Monte Carlo simulations.

87 Monte Carlo simulations of out-of-field surface doses due to the electron streaming effect in orthogonal magnetic fields.

88 Monte Carlo simulations of out-of-field skin dose due to spiralling contaminant electrons in a perpendicular magnetic field.

89 Innovations in Computer Technologies Have Impacted Radiation Dosimetry Through Anatomically Realistic Phantoms and Fast Monte Carlo Simulations.

90 Geant4-DNA track-structure simulations for gold nanoparticles: The importance of electron discrete models in nanometer volumes.

91 Alignment independent 3D-QSAR studies and molecular dynamics simulations for the identification of potent and selective S1P receptor agonists.

92 Climate data to undertake hygrothermal and whole building simulations under projected climate change influences for 11 Canadian cities

93 Foldamer Architectures of Triazine-Based Sequence-Defined Polymers Investigated with Molecular Dynamics Simulations and Enhanced Sampling Methods.

94 Potential inhibitors of the enzyme acetylcholinesterase and juvenile hormone with insecticidal activity: study of the binding mode via docking and molecular dynamics simulations.

95 Design of a Repellent Against Aedes aegypti (Diptera: Culicidae) Using in silico Simulations With AaegOBP1 Protein.

96 Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.

97 Students’ perception of the impact of competences on learning: An analysis with business simulations

98 Mapping dominant runoff processes: an evaluation of different approaches using similarity measures and synthetic runoff simulations

99 Evaluations on Profiles of the Eddy Diffusion Coefficients through Simulations of Super Typhoons in the Northwestern Pacific

100 Self-learning projective quantum Monte Carlo simulations guided by restricted Boltzmann machines.

101 Understanding adsorption behavior of α-chymotrypsin onto cation exchanger using all-atom molecular dynamics simulations.

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