simulation
simulation
Molecular dynamics simulations in statistical physics: theory and applications / Hiqmet Kamberaj
simulation
Computer modeling and simulation of dynamic systems using Wolfram SystemModeler / Kirill Rozhdestvensky [and more]
simulation
Modeling, simulation and control of electrical drives / edited by Muhammed Fazlur Rahman and Sanjeet K. Dwivedi
simulation
Numerical simulation of water waves Jianhua Tao ; translated by Haiwen Zhang ; co-translator, Jianhua Tao
simulation
Continuous system simulation [electronic resource] / François E. Cellier, Ernesto Kofman
simulation
[ASAP] Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials
simulation
[ASAP] Simulation-Based Methods for Model Building and Refinement in Cryoelectron Microscopy
simulation
[ASAP] Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
simulation
[ASAP] Discovery of Ubiquitin-Specific Protease 7 (USP7) Inhibitors with Novel Scaffold Structures by Virtual Screening, Molecular Dynamics Simulation, and Biological Evaluation
simulation
[ASAP] A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19
simulation
[ASAP] Understanding the Contributions of Microscopic Heat Transfer to Thermal Conductivities of Liquid Aldehydes and Ketones by Molecular Dynamics Simulation
simulation
[ASAP] Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method
simulation
[ASAP] Toward the Atomic Scale Simulation of Intricate Acidic Aluminosilicate Catalysts
simulation
Topics in Statistical Simulation [electronic resource] : Research Papers from the 7th International Workshop on Statistical Simulation / edited by V.B. Melas, Stefania Mignani, Paola Monari, Luigi Salmaso
simulation
Learning Regression Analysis by Simulation [electronic resource] / by Kunio Takezawa
simulation
GIS-based simulation and analysis of intra-urban commuting / Yujie Hu, Fahui Wang
simulation
The Manchester benchmarks for rail vehicle simulation / edited by S. Iwnicki
simulation
Continuum thermomechanics [electronic resource]: : with numerical simulation in view / Alfredo Bermúdez de Castro
simulation
[ASAP] Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations
simulation
Assessing the Extent of Structural and Dynamic Modulation of Membrane Lipids due to Pore Forming Toxins: Insights from Molecular Dynamics Simulations
Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00086H, Paper
DOI: 10.1039/D0SM00086H, Paper
Vadhana Varadarajan, Rajat Desikan, Ganapathy Ayappa
Infections in many virulent bacterial strains are triggered by the release of pore forming toxins (PFTs), which form oligomeric transmembrane pore complexes on the target plasma membrane. The spatial extent...
The content of this RSS Feed (c) The Royal Society of Chemistry
Infections in many virulent bacterial strains are triggered by the release of pore forming toxins (PFTs), which form oligomeric transmembrane pore complexes on the target plasma membrane. The spatial extent...
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
Systematic approach for wettability prediction using molecular dynamics simulations
Soft Matter, 2020, 16,4299-4310
DOI: 10.1039/D0SM00197J, Paper
DOI: 10.1039/D0SM00197J, Paper
Open Access
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ahmed Jarray, Herman Wijshoff, Jurriaan A. Luiken, Wouter K. den Otter
An efficient approach for fast screening of liquids in terms of their wetting properties.
The content of this RSS Feed (c) The Royal Society of Chemistry
An efficient approach for fast screening of liquids in terms of their wetting properties.
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
Simulations of Interpenetrating Networks Microgel Synthesis
Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00287A, Paper
DOI: 10.1039/D0SM00287A, Paper
Vladimir Yurievich Rudyak, Elena Kozhunova, Alexander V. Chertovich
In this paper we implement the sequential template synthesis of the interpenetrating network (IPN) microgels in computer simulations and study the behavior of such particles. We explore the influence of...
The content of this RSS Feed (c) The Royal Society of Chemistry
In this paper we implement the sequential template synthesis of the interpenetrating network (IPN) microgels in computer simulations and study the behavior of such particles. We explore the influence of...
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
Wall entrapment of peritrichous bacteria: A mesoscale hydrodynamics simulation study
Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00571A, Paper
DOI: 10.1039/D0SM00571A, Paper
S. Mahdiyeh Mousavi, Gerhard Gompper, Roland G. Winkler
Microswimmers such as E. Coli bacteria accumulate and exhibit an intriguing dynamics near walls, governed by hydrodynamic and steric interactions. Insight into the underlying mechanisms and predominant interactions demand a...
The content of this RSS Feed (c) The Royal Society of Chemistry
Microswimmers such as E. Coli bacteria accumulate and exhibit an intriguing dynamics near walls, governed by hydrodynamic and steric interactions. Insight into the underlying mechanisms and predominant interactions demand a...
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
Single chain in mean field simulation of flexible and semiflexible polymers: Comparison with discrete chain self-consistent field theory
Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00620C, Paper
DOI: 10.1039/D0SM00620C, Paper
So Jung Park, Jaeup Kim
Single chain in mean field (SCMF) simulation is a theoretical framework performing Monte Carlo moves of explicit polymer chains under quasi-instantaneously updated external fields which were originally imported from the...
The content of this RSS Feed (c) The Royal Society of Chemistry
Single chain in mean field (SCMF) simulation is a theoretical framework performing Monte Carlo moves of explicit polymer chains under quasi-instantaneously updated external fields which were originally imported from the...
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
[ASAP] Induced Polarization in Molecular Dynamics Simulations of the 5-HT<sub>3</sub> Receptor Channel
simulation
Molding simulation: theory and practice / Maw-Ling Wang, Rong-Yeu Chang, Chia-Hsiang (David) Hsu
simulation
Applications in Design and Simulation of Sustainable Chemical Processes / Alexandre C. Dimian, Costin Sorin Bildea and Anton A. Kiss
simulation
Postdoctoral Researcher in Theory of Superconducting Quantum Simulations: University of Oulu
simulation
PhD position in plasma+nuclear physics/numerical simulations at CNRS (France): CNRS
simulation
Simulations unveil Grignard reactions' complex mechanism
simulation
A full simulation of H1N1 flu virus
simulation
Si detectors and characterization for HEP and photon science experiment: how to design detectors by TCAD simulation / Ajay Kumar Srivastava
simulation
Theory and simulation methods for electronic and phononic transport in thermoelectric materials
simulation
Urban composite development index for 17 Shandong cities: ranking and simulation analysis based on China's five development concepts / Tan Khee Giap [and four others]
simulation
Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods
React. Chem. Eng., 2020, 5,814-837
DOI: 10.1039/D0RE00024H, Review Article
DOI: 10.1039/D0RE00024H, Review Article
Pierre-André Maitre, Matthew S. Bieniek, Panagiotis N. Kechagiopoulos
Modelling methods and simulation works on the upgrading of methane via plasma and plasma-enhanced catalysis reviewed.
The content of this RSS Feed (c) The Royal Society of Chemistry
Modelling methods and simulation works on the upgrading of methane via plasma and plasma-enhanced catalysis reviewed.
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
[ASAP] Discovery of Self-Assembling p-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
simulation
[ASAP] Variance of Atomic Coordinates as a Dynamical Metric to Distinguish Proteins and Protein–Protein Interactions in Molecular Dynamics Simulations
simulation
[ASAP] Proton Propensity and Orientation of Imidazolium Cation at Liquid Imidazole–Vacuum Interface: A Molecular Dynamics Simulation
simulation
[ASAP] Microscopic Understanding of the Effect of Ionic Liquid on Protein from Molecular Simulation Studies
simulation
[ASAP] Dual Resolution Membrane Simulations Using Virtual Sites
simulation
[ASAP] Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations
simulation
[ASAP] Quantitative Investigation of Ion Clusters in a Double Salt Ionic Liquid by Both Vibrational Spectroscopy and Molecular Dynamics Simulation
simulation
[ASAP] Liquid/Vapor Interface of Dimethyl Carbonate–Methanol Binary Mixtures Investigated by Sum Frequency Generation Vibrational Spectroscopy and Molecular Dynamics Simulation
simulation
[ASAP] Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations
simulation
Deciphering calcium-binding behaviors of casein phosphopeptides by experimental approaches and molecular simulation
Food Funct., 2020, Accepted Manuscript
DOI: 10.1039/D0FO00844C, Paper
DOI: 10.1039/D0FO00844C, Paper
Minna Luo, Jie Xiao, Shengwei Sun, Fengchao Cui, Wei Li, Guo Liu, Yunqi Li, Yong Cao
Although specific groups in casein phosphopeptides (CPPs) have been identified to be essential for the calcium-binding capacity, how calcium binds with CPPs remains unclear. In the present study, experimental methods...
The content of this RSS Feed (c) The Royal Society of Chemistry
Although specific groups in casein phosphopeptides (CPPs) have been identified to be essential for the calcium-binding capacity, how calcium binds with CPPs remains unclear. In the present study, experimental methods...
The content of this RSS Feed (c) The Royal Society of Chemistry
simulation
Management science in fisheries : an introduction to simulation-based methods / edited by Charles T.T. Edwards and Dorothy J. Dankel
simulation
Simulation options for airport planning / Florian B. Hafner
simulation
A comparative simulation of Type I error and Power of Four tests of homogeneity of effects for random- and fixed-effects models of meta-analysis
simulation