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IMAG/MSM Working Group on Multi-scale Modeling for Viral Pandemics

Mini Seminar and Discussion of Subgroups

November 19th, 2020

Welcome--The Meeting Will Start at 3PM EDT

 

NOTE: THE MEETING WILL BE RECORDED, STREAMED AND PUBLICLY AVAILABLE FOR THOSE MEMBERS UNABLE TO ATTEND

Agenda

Welcome

Mini-Seminar by Alan Perelson, Los Alamos National Laboratory, SARS-CoV-2 modeling

Mini-Seminar by Fred Adler, University of Utah, Rhinovirus, Undergraduate Education, and Multiscale Modeling of Viral Pandemics

Upcoming Mini-Seminars and Request for Future Speakers

Presentation of Current List of Subgroups and Proposed sub-Group Leads

Discussion of Recruitment of Subgroup Leads and Members

Discussion of Charge to Subgroups

Request for Further Business

 

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People

Co-Lead: Reinhard Laubenbacher, PhD

Department of Medicine

Laboratory for Systems Medicine

University of Florida

reinhard.laubenbacher@medicine.ufl.edu

Co-Lead: James A. Glazier, PhD

Dept. of Intelligent Systems Engineering and Biocomplexity Institute

Indiana University, Bloomington

jaglazier@gmail.com

Web Administration: James P. Sluka, PhD

Dept. of Intelligent Systems Engineering and Biocomplexity Institute

Indiana University, Bloomington

jsluka@indiana.edu

Activities Coordination: Bruce G. Shapiro, PhD, PMP

Laboratory for Systems Medicine

University of Florida

bruce.shapiro@medicine.ufl.edu

 

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Slack Channel

https://app.slack.com/client/T01D79YF21Y/C01CSHLAPQF

To be functional we may need some people to volunteer to get the conversation started!

 

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Mini-Seminar

Modeling within host viral infections and immunity.

Alan Perelson

Los Alamos National Laboratory

asp@lanl.gov

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Mini-Seminar

Rhinovirus, Undergraduate Education, and Multiscale Modeling of Viral Pandemics

Fred Adler

University of Utah

asp@lanl.gov

I will briefly discuss our use of rhinovirus (the other common cold) to bridge scales from biochemistry to evolution, and then the structure of a course I am leading that uses the COVID pandemic to motivate mathematical modeling stretching from physics to economics. I will use these to present my vision of a unified structure linking the full suite of approaches of our group.

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Schedule for Upcoming mini-Seminars

Nov 26th--NO MEETING, Thanksgiving

Dec 3rd, Jacob Barhak, The Reference Model Accumulates Knowledge With Human Interpretation.

Dec 3rd, Gary An, University of Vermont, Biological Heterogeneity and Parameter Space: Using agent-based models to unify knowledge regarding zoonotic transfer, vaccine development and in silico trials of multi-modal therapeutic strategies

Dec 10th, Amber Smith, University of Tennessee

Dec 10th, Grace Peng, NIBIB

Dec 17th, Reed Shabman and Liliana Brown, NIAID - NIH

Dec 17th, Filippo Castiglione, National Research Council of Italy, SARS-CoV-2 infection: a cohort study performed in-silico

Dec 24th--NO MEETING, Christmas Eve

Dec 31st--NO MEETING, New Year’s Eve

Jan 7th, Paul Macklin, Indiana University

Jan 7th, TBD

Jan 14th, TBDx2

Request for Suggestions for future speakers

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Current Subgroup Topics and Provisional Lead Volunteers

Review Preliminary Assignments

Seeking volunteers/suggestions for additional leads

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Subgroups 1 of 2(30 total)

(Co)Leads Names (new)

Physiological Models

[Innate and Adaptive Immune Response] J Shoemaker, R Datta, V Zarnitsyna, E Schwartz

[Host-pathogen Interactions] Y Liu, J Shoemaker, R Thompson, J Thakar

[Tissue Damage and Recovery] Y Jiang, K Ye

Virus Models

[Viral Transport and Modes of Entry and Barrier Functions] MG Forest

[Viral Replication and Release] J Faeder, P Rangamani, EY Kim, P Rangamani

[Viral Evolution] F Adler, A Zilman

Therapeutics and Medicine

[Drug Development] (missing from form) K Ye

[Vaccine Development] K Ye, E Schwartz

Modeling individual responses to disease and treatment G An, E Schwartz, T Mapder

(includes [Diagnosis],[In Silico Clinical Trials],[Personalization of Models],[Interpatient Variability])

[Modelling Decontamination of Surfaces/Materials] K Kiradjiev

[Machine Learning for Health Monitoring] G Lin, Y Jiang

Individual Organ Systems

[Lungs] Y Jiang

[Heart],[Vasculature] C Lynch

[Kidney and Liver] M Rafailovich, C Mazza, C Mahapatra, J Klaunig, C Yedjou

Comorbidities (including diabetes, age, obesity, immune suppression) J Barhak

Note: Names in blue were individuals that selected (Co)Lead on the group Google Form that were not previously identified as possible leads.

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Subgroups 2 of 2

Data

[Experimental and Clinical Data for Model Construction and Validation] S Schnell

[AI-based Data Processing, Heterogeneous Data Fusion] O Gevaert, J Barhak, Y Kevrekidis, R Datta

Infection in experimental models including Relationship between in vivo � and in vitro responses and Infection in vivo model organisms tbd

[Infection in zoonotic reservoir animals and Interspecies Transmission G An, J Rice, T Mapder

Coinfection and/or other pathogens (virus-virus, bacterial, eukaryotic) tbd

[Emerging and Reemerging Diseases] A Gumel

Modeling Technology

[Aerosol Transport in Lung, Lymph and Blood] M Tawhai, C Darquenne

[Integration Within and Across Scales and challenges] J Barhak, R Datta,Y Liu, C Liao,

[Integration Between Within-host and Population Scales] P Rangamani, R Thompson

[Knowledge Acquisition and Modeling] SMR Naqvi, J Thakar

[Crowdsourcing Software Development] R Laubenbacher, P Macklin

[Requirements for Model Credibility, Reproducibility], � includes standards for biological and computational models J Barhak, P Rangamani

Social Issues

Dissemination, training and outreach to the public, � research community and Liaisons J Rice

[To funding agencies] J Glazier, R Laubenbacher

[Health Equity] B Madamanchi

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Please Sign Up For Subgroups

Subgroup Sign up

We ask that everyone sign up for subgroups using the Google Form at:

https://forms.gle/DQ38A4H8Aa2VcG3r5

�The form allows you to join a group and volunteer to lead. If you think subgroups overlap, feel free to sign up for multiple groups. We will likely combine some of the groups based on the number of participants and the number of people common across related groups.

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Discussion of Recruitment of Subgroup Leads, Subgroup Members and WG Members

Procedure for the establishment of new subgroups:

New subgroup proposals should include a brief description of the focus, at least one person who has agreed to lead the subgroup, and a rationale why the proposed subgroup focus is not covered by already existing subgroups.

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Objectives for subgroups (first 9 months)

Based on the proposal submitted to the MSM Steering Committee, the objectives for the working group as a whole and each of the subgroups are as follows:

(1 month) Each subgroup will develop a plan to achieve these objectives.

1. (3 months) Identify people working in this area to include a paragraph on their work.

- Recruit members (assemble the masses)

- Assemble into a directory of researchers. (bibliography for subgroup)

- Identify other subgroups that you should coordinate with

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Objectives for subgroups (cont)

2. (6 months) Prepare a white paper, approx. 5pp in length, excluding references that does the following:

- describe the focus of the subgroup, the major problems within it, and the role modeling can play in it

- describe what models and data are available, and the extent of our biological knowledge, available experimental systems, etc.

- describe what is needed that does not exist yet: models, data, experimental approaches, etc.

- outline any action items that could get us there.

These white papers can form the basis of a collective publication on the topic of multi scale modeling and viral pandemics.

3. (9 months) Catalyze research projects through presentations, exchange of ideas, search for strategic opportunities.

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Review of Web Site and Contents

  • Please review the web site and make suggestions for improvements in contents:

https://www.imagwiki.nibib.nih.gov/working-groups/multiscale-modeling-and-viral-pandemics

We can add linked pages for each subgroup.

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Action Items

Weekly discussion topics for Slack

Next Meeting (12/3/20)--Request for Agenda Items

Speakers for mini-Seminars needed in January. Please email Bruce bruce.shapiro@medicine.ufl.edu

1 page text personal introduction on research interests from members, with links to main research pages to post on Web Page and Slack

Please contact jsluka@indiana.edu if you have any issues with this document

  

 

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Additional Business

 

People are welcome to post tools and software to IMAG/MSM website, but be careful to be clear that a posting does not include endorsement by NIH

Please register on IMAG/MSM web site https://www.imagwiki.nibib.nih.gov/index.php/�(Details are on the next slide)

We ask that everyone sign up for subgroups using the Google Form at https://forms.gle/DQ38A4H8Aa2VcG3r5

  

 

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To register for the MSM�(Multiscale Modeling Consortium):

  1. https://www.imagwiki.nibib.nih.gov/index.php/
  2. In the upper right select “LOG IN
  3. Select “Create new account
  4. Select the “To edit the wiki as a MSM member
  5. Fill out the name, email etc. fields
  6. In the “WG Involvement*” box scroll down and select

Multiscale Modeling and Viral Pandemics

  • In the “MSM funded project title” enter the title for any grants or other funding sources you would like to acknowledge.
  • MSM Resources” you can leave blank
  • MSM grant no.” enter the grant number for the project entered in #7. If there is no number enter 000000
  • Enter project start and end dates, these can be approximate.
  • The remaining fields are all optional.

If you have any problems please contact JSluka@iu.edu

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Subgroups 1 of 3(55 total subgroups)

(Co)Lead Total (Co)Leads Names (new)

Physiological Models

[Innate Immune Response (non-cellular and cellular)] 1 24 J Shoemaker, R Datta

[Adaptive Immune Response] 2 21 V Zarnitsyna, R Datta, E Schwartz

[Host-pathogen Interactions] 1 27 Y Liu, J Shoemaker, R Thompson, J Thakar

[Tissue Damage and Recovery] 1 11 Y Jiang, K Ye

Virus Models

[Viral Transport] 0 9 tbd

[Viral Modes of Entry and Barrier Functions] 0 10 MG Forest

[Viral Replication] 2 11 J Faeder, P Rangamani, EY Kim, P Rangamani

[Viral Release] 0 6 tbd

[Viral Evolution] 1 10 F Adler, A Zilman

Therapeutics and Medicine

[Drug Development] (missing from form) ? ? K Ye

[Vaccine Development] 2 10 K Ye, E Schwartz

Modeling individual responses to disease and treatment

[Diagnosis] 0 4 tbd

[Prognosis] 0 5 tbd

[Modeling of Therapeutic Options] 1 28 G An, E Schwartz

[In Silico Clinical Trials] 0 15 G An, Y Jiang

[Personalization of Models] 0 21 tbd

[Interpatient Variability] 0 8 G An, T Mapder

[Modelling Decontamination of Surfaces/Materials] 1 4 K Kiradjiev

[Machine Learning for Health Monitoring] 1 15 G Lin, Y Jiang

new (Co)Leaders

total signed up

previously identified leads in black, new lead signups in blue

need a subgroup lead

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Subgroups 2 of 3

Individual Organ Systems

[Lungs] 0 12 Y Jiang

[Heart] 0 1 tbd

[Vasculature] 0 8 C Lynch

[Nervous system] 0 3 tbd

[Kidney and Liver] 1 10 M Rafailovich, C Mazza, C Mahapatra, J Klaunig, C Yedjou

Comorbidities

[Diabetes] 1 10 J Barhak

[Age] 0 14 tbd

[Obesity] 0 11 tbd

[Immune suppression] 0 11 tbd

Data

[Experimental Data for Model Construction and Validation] 1 35 S Schnell

[Clinical Data] 1 19 S Schnell

[AI-based Data Processing, Heterogeneous Data Fusion] 4 19 O Gevaert, J Barhak, Y Kevrekidis, R Datta

Non-human Systems Infection in experimental models

[Relationship between in vivo and in vitro responses] 0 11 tbd

[Infection in vivo model organisms] 0 8 bd

[Infection in zoonotic reservoir animals] 1 7 G An, J Rice

[Interspecies Transmission] 1 8 T Mapder

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Subgroups 3 of 3

Coinfection and/or other pathogens

[Virus - Virus] 0 14 tbd

[Bacteria] 0 11 tbd

[Eukaryotic infections] 0 6 tbd

[Emerging and Reemerging Diseases] 0 15 A Gumel

Modeling Technology

[Aerosol Transport in Lung, Lymph and Blood] 1 8 M Tawhai, C Darquenne

[Integration Within Scales] 2 22 J Barhak, R Datta

[Integration Across Scales] 1 27 Y Liu, C Liao, R Datta

[Model Integration Challenges] 0 21 tbd

[Integration Between Within-host and Population Scales] 1 24 P Rangamani, R Thompson

[Knowledge Acquisition and Modeling] 1 20 SMR Naqvi, J Thakar

[Crowdsourcing Software Development] 0 13 R Laubenbacher, P Macklin

Model Credibility, Reproducibility

[Requirements for Model Credibility, Reproducibility] 1 31 J Barhak, P Rangamani

[Standards for Biological Model Description] 0 21 tbd

[Standards for Computational and Mathematical Model Description] 0 29 tbd

Social Issues: Dissemination, Training and Communication

[Optim Model Design Deliv Target Users, Incl Policy Mkrs Clinicians] 0 15 tbd

[Training and Outreach for Both Scientific and General Communities] 3 20 J Rice, B Madamanchi, T Helikar

[Health Equity] 1 9 B Madamanchi

Dissemination, Training and Communication

[To the public] 2 22 J Rice

[To the research community] 0 23 tbd

[Liaison with other groups (MIDAS, ...)] 2 13 J Rice

[To funding agencies] 1 23 J Glazier, R. Laubenbacher

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Subgroups Similarities

Most similar subgroups based on membership�(blue: subgroups in same main group, red subgroups in different main groups)

Modeling Technology : [Integration Across Scales]

Modeling Technology : [Integration Within Scales] Correlation 0.850 Signif. Prob <.0001

Physiological Models: [Innate Immune Response (non-cellular and cellular)]

Physiological Models: [Adaptive Immune Response] Correlation 0.793 Signif. Prob <.0001

Coinfection and/or other pathogens : [Virus - Virus]

Non-human Systems : [Relationship between in vivo and in vitro responses] Correlation 0.663 Signif. Prob <.0001

Comorbidities : [Obesity]

Comorbidities : [Age] Correlation 0.663 Signif. Prob <.0001

Non-human Systems : [Relationship between in vivo and in vitro responses]

Physiological Models : [Adaptive Immune Response] Correlation 0.655 Signif. Prob <.0001

Modeling Technology : [Crowdsourcing Software Development]

Modeling Technology : [Standards for Biological Model Description] Correlation 0.643 Signif. Prob <.0001

Modeling Technology : [Crowdsourcing Software Development]

Modeling Technology : [Model Integration Challenges] Correlation 0.643 Signif. Prob <.0001

Dissemination and Communication : [To the research community]

Dissemination and Communication : [To the public] Correlation 0.630 Signif. Prob <.0001

Modeling Technology : [Model Integration Challenges]

Modeling Technology : [Integration Across Scales] Correlation 0.623 Signif. Prob <.0001

Modeling Technology : [Model Integration Challenges]

Modeling Technology : [Integration Within Scales] Correlation 0.621 Signif. Prob <.0001

Comorbidities : [Obesity]

Comorbidities : [Diabetes] Correlation 0.605 Signif. Prob <.0001

Coinfection and/or other pathogens : [Virus - Virus]

Non-human Systems : [Infection in vivo model organisms] Correlation 0.602 Signif. Prob <.0001

Virus Models : [Viral Release]

Virus Models : [Viral Modes of Entry and Barrier Functions] Correlation 0.601 Signif. Prob <.0001

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Other suggested subgroups and comments

  • Network modeling for biochemical/molecular/reaction networks (incl. host-pathogen interactions)
  • Rapid Model based data on novel organisms biology for use as assumption inputs to epidemiological predictions models
  • Application or MSM methods to understand pathogen reservoir and potential vector host animals immunology and physiology..
  • You may wish to consider opening SimTK project sites to some of the sub groups
  • Interindividual Variability of Disease Manifestation
  • Perhaps the subgroups I signed up for will entrain my focus / question -- how the immune system and any therapeutics couple to the trafficking of infectious virions and to the propagation of infection in cells, throughout the respiratory tract.

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Hierarchical Clustering, based on subgroup selections, to 20 groups

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Subgroups Memeberships

There are 55 subgroups

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OUTDATE Physiological Models: [Innate Immune Response �(non-cellular and cellular)]

  1. Rahul Bhadani rahulbhadani@email.arizona.edu Member
  2. Slim FOURATI slim.fourati@emory.edu Member
  3. Marcella Torres mtorres@richmond.edu Member
  4. Amber Smith amber.smith@uthsc.edu Member
  5. Kristian Kiradjiev kristian.kiradjiev@maths.ox.ac.uk Member
  6. Guillaume Le Treut gletreut@czbiohub.org Member
  7. Filippo Castiglione f.castiglione@iac.cnr.it Member
  8. James Glazier jaglazier@gmail.com Member
  9. Morgan Craig morgan.craig@umontreal.ca Member
  10. Zeljko Cupic zcupic@ihtm.bg.ac.rs Member
  11. Abba Gumel agumel@asu.edu Member
  12. Yannis Kevrekidis yannisk@jhu.edu Member
  13. Deng YUEFAN.deng@stonybrook.edu Member
  14. Mamadou Diallo mdiallo@nsf.gov Member
  15. Ruchira Datta Ruchira.Datta@gmail.com (Co)Lead
  16. Tom Helikar thelikar2@unl.edu Member
  17. Greg Forest forest@unc.edu Member
  18. Juilee Thakar juilee.thakar@gmail.com Member
  19. Ericka Mochan edmochan@carlow.edu Member
  20. Chris Kang chris.kang@wsu.edu Member
  21. Elissa Schwartz ejs@wsu.edu Member
  22. Eun-Young Kim e-kim@northwestern.edu Member
  23. Filippo Castiglione f.castiglione@iac.cnr.it Member
  24. Sartahk Gupta sgupta14@syr.edu Member

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OUTDATE Physiological Models: [Adaptive Immune Response]

  1. Marcella Torres mtorres@richmond.edu Member
  2. Amber Smith amber.smith@uthsc.edu Member
  3. Kristian Kiradjiev kristian.kiradjiev@maths.ox.ac.uk Member
  4. Leonard Harris harrisl@uark.edu Member
  5. Filippo Castiglione f.castiglione@iac.cnr.it Member
  6. Ira Schwartz ira.schwartz@nrl.navy.mil Member
  7. James Glazier jaglazier@gmail.com Member
  8. Fred Adler adler@math.utah.edu Member
  9. Damilola Olabode damilola.olabode@wsu.edu Member
  10. Abba Gumel agumel@asu.edu Member
  11. Yannis Kevrekidis yannisk@jhu.edu Member
  12. Deng YUEFAN.deng@stonybrook.edu Member
  13. Tarunendu Mapder mtarunendu@yahoo.com Member
  14. Ruchira Datta Ruchira.Datta@gmail.com (Co)Lead
  15. Tom Helikar thelikar2@unl.edu Member
  16. Greg Forest forest@unc.edu Member
  17. Juilee Thakar juilee.thakar@gmail.com Member
  18. Elissa Schwartz ejs@wsu.edu (Co)Lead
  19. Eun-Young Kim e-kim@northwestern.edu Member
  20. Filippo Castiglione f.castiglione@iac.cnr.it Member
  21. Sartahk Gupta sgupta14@syr.edu Member

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OUTDATE Physiological Models: [Host-pathogen Interactions]

  1. Slim FOURATI slim.fourati@emory.edu Member
  2. Jorge X. Velasco-Hernandez jx.velasco@im.unam.mx Member
  3. Marcella Torres mtorres@richmond.edu Member
  4. Amber Smith amber.smith@uthsc.edu Member
  5. Leonard Harris harrisl@uark.edu Member
  6. Filippo Castiglione f.castiglione@iac.cnr.it Member
  7. Miranda Lynch mlynch@hwi.buffalo.edu Member
  8. Eric Forgoston eric.forgoston@montclair.edu Member
  9. James Glazier jaglazier@gmail.com Member
  10. Ruth Bowness rb2250@bath.ac.uk Member
  11. John Bachman john_bachman@hms.harvard.edu Member
  12. Damilola Olabode damilola.olabode@wsu.edu Member
  13. Abba Gumel agumel@asu.edu Member
  14. Deng YUEFAN.deng@stonybrook.edu Member
  15. Mamadou Diallo mdiallo@nsf.gov Member
  16. Ruchira Datta Ruchira.Datta@gmail.com Member
  17. Tom Helikar thelikar2@unl.edu Member
  18. Greg Forest forest@unc.edu Member
  19. Juilee Thakar juilee.thakar@gmail.com (Co)Lead
  20. Ericka Mochan edmochan@carlow.edu Member
  21. Elissa Schwartz ejs@wsu.edu Member
  22. Eun-Young Kim e-kim@northwestern.edu Member
  23. Padmini Rangamani prangamani@ucsd.edu Member
  24. James Osborne jmosborne@unimelb.edu.au Member
  25. Joanna Wares jwares@richmond.edu Member
  26. Sartahk Gupta sgupta14@syr.edu Member
  27. Robin Thompson robin.thompson1988@gmail.com Member

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OUTDATE Subgroups

Repeat for remaining 52 subgroups