Frontiers in Molecular Biosciences | Biological Modeling and Simulation

Original Research

Published on 23 Feb 2022

Three-Dimensional Model of Sub-Plasmalemmal Ca2+ Microdomains Evoked by T Cell Receptor/CD3 Complex Stimulation

in Biological Modeling and Simulation

Diana Gil
Björn-Philipp Diercks
Andreas H. Guse
Geneviève Dupont

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.811145

3,129 views
9 citations

Methods

Published on 23 Feb 2022

Optimal Experimental Design Based on Two-Dimensional Likelihood Profiles

in Biological Modeling and Simulation

Tim Litwin
Jens Timmer
Clemens Kreutz

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.800856

2,892 views
3 citations

Original Research

Published on 21 Feb 2022

TRPC3 Channel Activity and Viability of Purkinje Neurons can be Regulated by a Local Signalosome

in Biological Modeling and Simulation

Naveed Aslam
Farah Alvi

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.818682

2,997 views
2 citations

Correction

Published on 15 Feb 2022

Corrigendum: Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats

in Biological Modeling and Simulation

Monica L. Fernández-Quintero
Patrick K. Quoika
Florian S. Wedl
Clarissa A. Seidler
Katharina B. Kroell
Johannes R. Loeffler
Nancy D. Pomarici
Valentin J. Hoerschinger
Alexander Bujotzek
Guy Georges

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.864654

1,298 views
1 citation

Original Research

Published on 15 Feb 2022

Dynamic Control Balancing Cell Proliferation and Inflammation is Crucial for an Effective Immune Response to Malaria

in Biological Modeling and Simulation

Anuj Gupta
Mary R. Galinski
Eberhard O. Voit

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.800721

4,662 views
11 citations

Original Research

Published on 14 Feb 2022

Identification and Validation of a Novel Three Hub Long Noncoding RNAs With m6A Modification Signature in Low-Grade Gliomas

in Biological Modeling and Simulation

Quang-Huy Nguyen
Tin Nguyen
Duc-Hau Le

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.801931

2,726 views
6 citations

Original Research

Published on 14 Feb 2022

SARS-CoV-2 Spike Protein Unlikely to Bind to Integrins via the Arg-Gly-Asp (RGD) Motif of the Receptor Binding Domain: Evidence From Structural Analysis and Microscale Accelerated Molecular Dynamics

in Biological Modeling and Simulation

Houcemeddine Othman
Haifa Ben Messaoud
Oussema Khamessi
Hazem Ben-Mabrouk
Kais Ghedira
Avani Bharuthram
Florette Treurnicht
Ikechukwu Achilonu
Yasien Sayed
Najet Srairi-Abid

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.834857

4,296 views
18 citations

Original Research

Published on 04 Feb 2022

Phytochemicals of Euphorbia hirta L. and Their Inhibitory Potential Against SARS-CoV-2 Main Protease

in Biological Modeling and Simulation

Ruel Cayona
Evelyn Creencia

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.801401

30,905 views
20 citations

Original Research

Published on 04 Feb 2022

Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods

in Biological Modeling and Simulation

Burak T. Kaynak
James M. Krieger
Balint Dudas
Zakaria L. Dahmani
Mauricio G. S. Costa
Erika Balog
Ana Ligia Scott
Pemra Doruker
David Perahia
Ivet Bahar

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.832847

7,049 views
25 citations

Original Research

Published on 02 Feb 2022

Regulation of Cholesterol Binding to the Receptor Patched1 by its interactions With the Ligand Sonic Hedgehog (Shh)

in Biological Modeling and Simulation

Changqing Zhong
Beibei Wang

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.831891

2,886 views
6 citations

Original Research

Published on 01 Feb 2022

Modeling Progression of Single Cell Populations Through the Cell Cycle as a Sequence of Switches

in Biological Modeling and Simulation

Andrei Zinovyev
Michail Sadovsky
Laurence Calzone
Aziz Fouché
Clarice S. Groeneveld
Alexander Chervov
Emmanuel Barillot
Alexander N. Gorban

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.793912

6,333 views
6 citations

Original Research

Published on 28 Jan 2022

Mathematical Modeling of Proliferative Immune Response Initiated by Interactions Between Classical Antigen-Presenting Cells Under Joint Antagonistic IL-2 and IL-4 Signaling

in Biological Modeling and Simulation

Komlan Atitey
Benedict Anchang

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.777390

6,370 views
7 citations

Editorial

Published on 27 Jan 2022

Editorial: Advances in Molecular Docking and Structure-Based Modelling

in Biological Modeling and Simulation

Joseph Rebehmed
Alexandre G. de Brevern
Ramanathan Sowdhamini
Agnel Praveen Joseph

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.839826

3,438 views
3 citations

Original Research

Published on 27 Jan 2022

Elucidating the Structural Features of ABCA1 in its Heterogeneous Membrane Environment

in Biological Modeling and Simulation

S. Sunidhi
Sukriti Sacher
Atul
Parth Garg
Arjun Ray

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.803078

4,078 views
6 citations

Perspective

Published on 27 Jan 2022

The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules

in Biological Modeling and Simulation

Konstantin Röder
David J. Wales

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.820792

8,109 views
22 citations

Original Research

Published on 27 Jan 2022

Online Machine Learning for Accelerating Molecular Dynamics Modeling of Cells

in Biological Modeling and Simulation

Ziji Zhang
Peng Zhang
Changnian Han
Guojing Cong
Chih-Chieh Yang
Yuefan Deng

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.812248

5,058 views
5 citations