Atomistic Models | List of Frontiers open access articles

Original Research

Published on 01 Jul 2015

Mechanisms of recognition and binding of α-TTP to the plasma membrane by multi-scale molecular dynamics simulations

in Biophysics

Christos Lamprakis
Achim Stocker
Michele Cascella

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2015.00036

5,746 views
15 citations

Original Research

Published on 06 Jan 2026

Host-membrane lipid composition controls Cryptococcus neoformans cellular targets

in Microbial Immunology

Aswathi I. Ramesh
Sumukha Hegde
Aarsh Mahendra Dabhi
Sriram Krishnamurthy
Divya Chandran
Shivakumar K. Reddy
Prakash Peralam Yegneswaran
Kavitha Saravu
P.V. Mallikarjuna
Kavitha S. Shettigar

Frontiers in Immunology

doi 10.3389/fimmu.2025.1687068

1,811 views

Original Research

Published on 03 Feb 2015

Atomistic Model of Metal Nanocrystals with Line Defects: Contribution to Diffraction Line Profile

in Mechanics of Materials

Alberto Leonardi
Paolo Scardi

Frontiers in Materials

doi 10.3389/fmats.2014.00037

4,414 views
11 citations

Review

Published on 21 Jun 2022

Modelling Interfaces in Thin-Film Photovoltaic Devices

in Electrochemistry

Michael D. K. Jones
James A. Dawson
Stephen Campbell
Vincent Barrioz
Lucy D. Whalley
Yongtao Qu

Frontiers in Chemistry

doi 10.3389/fchem.2022.920676

22,625 views
20 citations

Original Research

Published on 10 Dec 2021

Multi-Terminal Nanotube Junctions: Modeling and Structure-Property Relationship

in Computational Materials Science

Sushan Nakarmi
Vinu U. Unnikrishnan
Vikas Varshney
Ajit K. Roy

Frontiers in Materials

doi 10.3389/fmats.2021.692988

3,835 views
3 citations

Original Research

Published on 06 Sep 2022

In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine

in Biological Modeling and Simulation

Seyedeh Zeinab Masoomi Nomandan
Maryam Azimzadeh Irani
Seyed Masoud Hosseini

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.976490

5,370 views
4 citations

Original Research

Published on 09 Jun 2023

Physical pictures of rotation mechanisms of F1- and V1-ATPases: Leading roles of translational, configurational entropy of water

in Structural Biology

Satoshi Yasuda
Tomohiko Hayashi
Takeshi Murata
Masahiro Kinoshita

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2023.1159603

4,351 views
4 citations

Articles

Mechanisms of recognition and binding of α-TTP to the plasma membrane by multi-scale molecular dynamics simulations

Host-membrane lipid composition controls Cryptococcus neoformans cellular targets

Atomistic Model of Metal Nanocrystals with Line Defects: Contribution to Diffraction Line Profile

Modelling Interfaces in Thin-Film Photovoltaic Devices

Multi-Terminal Nanotube Junctions: Modeling and Structure-Property Relationship

In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine

Physical pictures of rotation mechanisms of F1- and V1-ATPases: Leading roles of translational, configurational entropy of water