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2020 – today
- 2024
[j12]Anupom Roy
, Mikko Karttunen:
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. J. Chem. Inf. Model. 64(3): 983-1003 (2024)- 2023
- [i4]Elham Kiyani, Khemraj Shukla, George Em Karniadakis, Mikko Karttunen:
A Framework Based on Symbolic Regression Coupled with eXtended Physics-Informed Neural Networks for Gray-Box Learning of Equations of Motion from Data. CoRR abs/2305.10706 (2023) - [i3]Elham Kiyani, Hamidreza Yazdani Sarvestani, Hossein Ravanbakhsh, Razyeh Behbahani, Behnam Ashrafi, Meysam Rahmat, Mikko Karttunen:
Designing architectured ceramics for transient thermal applications using finite element and deep learning. CoRR abs/2305.11632 (2023) - [i2]Elham Kiyani, Mahdi Kooshkbaghi, Khemraj Shukla, Rahul Babu Koneru, Zhen Li, Luis Bravo, Anindya Ghoshal, George Em Karniadakis, Mikko Karttunen:
Characterization of partial wetting by CMAS droplets using multiphase many-body dissipative particle dynamics and data-driven discovery based on PINNs. CoRR abs/2307.09142 (2023) - 2022
- [j11]Cecilia Chávez-García, Mikko Karttunen:
Highly Similar Sequence and Structure Yet Different Biophysical Behavior: A Computational Study of Two Triosephosphate Isomerases. J. Chem. Inf. Model. 62(3): 668-677 (2022) - [j10]Cecilia Chávez-García, Jérôme Hénin, Mikko Karttunen:
Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2. J. Chem. Inf. Model. 62(4): 958-970 (2022) - [i1]Razyeh Behbahani, Hamidreza Yazdani Sarvestani, Erfan Fatehi, Elham Kiyani, Behnam Ashrafi, Mikko Karttunen, Meysam Rahmat:
Machine Learning-Driven Process of Alumina Ceramics Laser Machining. CoRR abs/2206.08747 (2022) - 2021
- [j9]Rafael Maglia de Souza, Mikko Karttunen, Mauro Carlos Costa Ribeiro:
Fine-Tuning the Polarizable CL&Pol Force Field for the Deep Eutectic Solvent Ethaline. J. Chem. Inf. Model. 61(12): 5938-5947 (2021) - 2020
- [j8]Rafael Maglia de Souza, Leonardo José Amaral de Siqueira, Mikko Karttunen, Luis Gustavo Dias:
Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries. J. Chem. Inf. Model. 60(2): 485-499 (2020) - [j7]Rafael Maglia de Souza, R. H. Ratochinski, Mikko Karttunen, Luis Gustavo Dias:
Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles. J. Chem. Inf. Model. 60(2): 522-536 (2020)
2010 – 2019
- 2018
- [j6]Pranav Madhikar, Jan Åström, Jan Westerholm, Mikko Karttunen:
CellSim3D: GPU accelerated software for simulations of cellular growth and division in three dimensions. Comput. Phys. Commun. 232: 206-213 (2018) - 2012
- [j5]Teemu Hynninen, Cristiano L. Dias, A. Mkrtchyan, Vili Heinonen, Mikko Karttunen, Adam S. Foster, Tapio Ala-Nissila:
A molecular dynamics implementation of the 3D Mercedes-Benz water model. Comput. Phys. Commun. 183(2): 363-369 (2012) - 2010
- [j4]Timo Vuorela, Andrea Catte, Perttu S. Niemelä, Anette Hall, Marja T. Hyvönen, Siewert J. Marrink, Mikko Karttunen, Ilpo Vattulainen:
Role of Lipids in Spheroidal High Density Lipoproteins. PLoS Comput. Biol. 6(10) (2010)
2000 – 2009
- 2007
- [j3]Michael Patra, Marja T. Hyvönen, Emma Falck, Mohsen Sabouri-Ghomi, Ilpo Vattulainen, Mikko Karttunen:
Long-range interactions and parallel scalability in molecular simulations. Comput. Phys. Commun. 176(1): 14-22 (2007) - [j2]Perttu S. Niemelä, Samuli Ollila, Marja T. Hyvönen, Mikko Karttunen, Ilpo Vattulainen:
Assessing the Nature of Lipid Raft Membranes. PLoS Comput. Biol. 3(2) (2007) - 2004
- [j1]Michael Patra, Mikko Karttunen:
Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration, and structural properties. J. Comput. Chem. 25(5): 678-689 (2004)
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last updated on 2024-10-07 21:21 CEST by the dblp team
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