scholarly journals A Perspective on Deep Learning for Molecular Modeling and Simulations

2020 ◽  
Author(s):  
Jun Zhang ◽  
Yao-Kun Lei ◽  
Zhen Zhang ◽  
Junhan Chang ◽  
Maodong Li ◽  
...  
Keyword(s):  
Deep Learning ◽  
Molecular Modeling ◽  
Modeling And Simulations

scholarly journals A Perspective on Deep Learning for Molecular Modeling and Simulations

2020 ◽  
Vol 124 (34) ◽  
pp. 6745-6763 ◽  
Author(s):  
Jun Zhang ◽  
Yao-Kun Lei ◽  
Zhen Zhang ◽  
Junhan Chang ◽  
Maodong Li ◽  
...  
Keyword(s):  
Deep Learning ◽  
Molecular Modeling ◽  
Modeling And Simulations

The rise of deep learning and transformations in bioactivity prediction power of molecular modeling tools

2021 ◽  
Author(s):  
Mohammed Bule ◽  
Nafiseh Jalalimanesh ◽  
Zahra Bayrami ◽  
Maryam Baeeri ◽  
Mohammad Abdollahi
Keyword(s):  
Deep Learning ◽  
Molecular Modeling ◽  
Modeling Tools ◽  
Bioactivity Prediction

Molecular modeling and simulations

2017 ◽  
pp. 255-275
Author(s):  
I. Nezbeda ◽  
J. Jirsák ◽  
F. Moučka
Keyword(s):  
Molecular Modeling ◽  
Modeling And Simulations

Deep learning for variational multiscale molecular modeling

2020 ◽  
Vol 153 (17) ◽  
pp. 174115
Author(s):  
Jun Zhang ◽  
Yao-Kun Lei ◽  
Yi Isaac Yang ◽  
Yi Qin Gao
Keyword(s):  
Deep Learning ◽  
Molecular Modeling ◽  
Variational Multiscale

Ubiquitin: Molecular modeling and simulations

2013 ◽  
Vol 46 ◽  
pp. 29-40 ◽  
Author(s):  
Assaf Ganoth ◽  
Yossi Tsfadia ◽  
Reuven Wiener
Keyword(s):  
Molecular Modeling ◽  
Modeling And Simulations

scholarly journals Molecular Modeling and Simulations of Reverse Micelles

2014 ◽  
Vol 106 (2) ◽  
pp. 291a
Author(s):  
Gozde Eskici ◽  
Paul Axelsen
Keyword(s):  
Molecular Modeling ◽  
Reverse Micelles ◽  
Modeling And Simulations

scholarly journals Molecular Modeling and Simulations of DNA at Graphene-Water Interfaces towards Developing Biosensors and Drug Delivery Vehicles

2015 ◽  
Vol 108 (2) ◽  
pp. 231a-232a ◽  
Author(s):  
Srivathsan Vembanur ◽  
Ken Halvorsen ◽  
Chris Myers ◽  
Alan Chen ◽  
Mehmet Yigit
Keyword(s):  
Drug Delivery ◽  
Molecular Modeling ◽  
Modeling And Simulations ◽  
Drug Delivery Vehicles ◽  
Delivery Vehicles
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