Advanced theory and simulations

Keyphrases

Publications

2022

Serhan Yamacli, Mutlu Avci
Computation of the Binding Energies between Human ACE2 and Spike RBDs of the Original Strain, Delta and Omicron Variants of the SARS-CoV-2: A DFT Simulation Approach. Advanced theory and simulations (2022)

volume 6, number 1, 2022

Agnieszka Truszkowska, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
Exploring a COVID-19 Endemic Scenario: High-Resolution Agent-Based Modeling of Multiple Variants. Advanced theory and simulations 6 (1) (2022)
Agnieszka Truszkowska, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
Exploring a COVID-19 Endemic Scenario: High-Resolution Agent-Based Modeling of Multiple Variants. Advanced theory and simulations 6 (1) (2022)

volume 6, number 2, 2022

Erika Davidoff Aguas, Abdul-Rahman Azizogli, Jatin Kashyap, Joseph Dodd-O, Zain Siddiqui, Jay Sy, Vivek Kumar
Rational Design of de novo CCL2 Binding Peptides. Advanced theory and simulations 6 (2) (2022)
Erika Davidoff Aguas, Abdul-Rahman Azizogli, Jatin Kashyap, Joseph Dodd-O, Zain Siddiqui, Jay Sy, Vivek Kumar
Rational Design of de novo CCL2 Binding Peptides. Advanced theory and simulations 6 (2) (2022)
Erika Davidoff Aguas, Abdul-Rahman Azizogli, Jatin Kashyap, Joseph Dodd-O, Zain Siddiqui, Jay Sy, Vivek Kumar
Rational Design of de novo CCL2 Binding Peptides. Advanced theory and simulations 6 (2) (2022)

volume 5, number 6, 2022

Agnieszka Truszkowska, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
Predicting the Effects of Waning Vaccine Immunity Against COVID-19 through High-Resolution Agent-Based Modeling. Advanced theory and simulations 5 (6) (2022)

2021

Agnieszka Truszkowska, Malav Thakore, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
Designing the Safe Reopening of US Towns Through High-Resolution Agent-Based Modeling. Advanced theory and simulations (2021)
Ioan Bâldea
What Can We Learn from the Time Evolution of COVID-19 Epidemic in Slovenia? Advanced theory and simulations (2021)

volume 5, number 2, 2021

Christopher B Lutz, Philippe J Giabbanelli
When Do We Need Massive Computations to Perform Detailed COVID-19 Simulations? Advanced theory and simulations 5 (2) (2021)

volume 5, number 4, 2021

Yang Ye, Qingpeng Zhang, Zhidong Cao, Frank Youhua Chen, Houmin Yan, Harry Eugene Stanley, Daniel Dajun Zeng
Impacts of Export Restrictions on the Global Personal Protective Equipment Trade Network During COVID-19. Advanced theory and simulations 5 (4) (2021)

volume 4, number 10, 2021

Yao Li, Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Xinheng He, Siyuan Liu, Tie-Yan Liu
Exploring the Regulatory Function of the N -terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation. Advanced theory and simulations 4 (10) (2021)

volume 4, number 3, 2021

Agnieszka Truszkowska, Brandon Behring, Jalil Hasanyan, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
High-Resolution Agent-Based Modeling of COVID-19 Spreading in a Small Town. Advanced theory and simulations 4 (3) (2021)
Agnieszka Truszkowska, Brandon Behring, Jalil Hasanyan, Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong-Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
COVID-19 Modeling: High-Resolution Agent-Based Modeling of COVID-19 Spreading in a Small Town (Adv. Theory Simul. 3/2021). Advanced theory and simulations 4 (3) (2021)

volume 4, number 5, 2021

Teddy Lazebnik, Svetlana Bunimovich-Mendrazitsky
The Signature Features of COVID-19 Pandemic in a Hybrid Mathematical Model-Implications for Optimal Work-School Lockdown Policy. Advanced theory and simulations 4 (5) (2021)
Hwankyu Lee
All-Atom Simulations and Free-Energy Calculations of Antibodies Bound to the Spike Protein of SARS-CoV-2: The Binding Strength and Multivalent Hydrogen-Bond Interactions. Advanced theory and simulations 4 (5) (2021)

2020

Ioan Bâldea
Suppression of Groups Intermingling as an Appealing Option for Flattening and Delaying the Epidemiological Curve While Allowing Economic and Social Life at a Bearable Level during the COVID-19 Pandemic. Advanced theory and simulations (2020)
Chandreyee Manas Das, Yan Guo, Lixing Kang, Ho-Pui Ho, Ken-Tye Yong
Investigation of Plasmonic Detection of Human Respiratory Virus. Advanced theory and simulations (2020)
Parth Chaturvedi, Yanxiao Han, Petr Král, Lela Vuković
Adaptive Evolution of Peptide Inhibitors for Mutating SARS-CoV-2. Advanced theory and simulations (2020)

volume 3, number 11, 2020

Chandreyee Manas Das, Yan Guo, Guang Yang, Lixing Kang, Gaixia Xu, Ho-Pui Ho, Ken-Tye Yong
Gold Nanorod Assisted Enhanced Plasmonic Detection Scheme of COVID-19 SARS-CoV-2 Spike Protein. Advanced theory and simulations 3 (11) (2020)

volume 3, number 1, 2019

volume 2, number 12, 2019

Bruce M Boghosian, Peter V Coveney, Hongyan Wang
A New Pathology in the Simulation of Chaotic Dynamical Systems on Digital Computers. Advanced theory and simulations 2 (12) (2019)

volume 2, number 5, 2019

Christopher Maffeo, Han-Yi Chou, Aleksei Aksimentiev
Molecular Mechanisms of DNA Replication and Repair Machinery: Insights from Microscopic Simulations. Advanced theory and simulations 2 (5) (2019)