ReviewPhotosynthesis research2020
Molecular dynamics simulations in photosynthesis.
Review in Photosynthesis research, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
What it found
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Who cites it
27 citing papers in PubMed.
- Red states modulate energy localization between the antenna and trap in PSI.bioRxiv : the preprint server for biology · 2026Article
- Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy.Molecular diversity · 2025Article
- Network analysis with quantum dynamics clarifies why photosystem II exploits both chlorophyll a and b.Science advances · 2025Article
- X-Ray Crystal and Cryo-Electron Microscopy Structure Analysis Unravels How the Unique Thylakoid Lipid Composition Is Utilized by CytochromeMembranes · 2025Article
- Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders.Scientific reports · 2025Article
- Modeling Diffusive Motion of Ferredoxin and Plastocyanin on the PSI Domain ofThe journal of physical chemistry. B · 2025Article
- Development of artificial photosystems based on designed proteins for mechanistic insights into photosynthesis.Protein science : a publication of the Protein Society · 2024Review
- Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers.Journal of chemical theory and computation · 2024Article
- Martini 3 Coarse-Grained Model for the Cofactors Involved in Photosynthesis.International journal of molecular sciences · 2024Article
- Protein Effects on the Excitation Energies and Exciton Dynamics of the CP24 Antenna Complex.The journal of physical chemistry. B · 2024Article
- Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations.Chemical science · 2024Article
- Targeting human progesterone receptor (PR), through pharmacophore-based screening and molecular simulation revealed potent inhibitors against breast cancer.Scientific reports · 2024Article
- Energetic driving force for LHCII clustering in plant membranes.Science advances · 2023Article
- Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles.Accounts of chemical research · 2023Article
- The origin of pigment-binding differences in CP29 and LHCII: the role of protein structure and dynamics.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2023Article
- Million-atom molecular dynamics simulations reveal the interfacial interactions and assembly of plant PSII-LHCII supercomplex.RSC advances · 2023Article
- Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry.Membranes · 2023Review
- Protein dynamics and lipid affinity of monomeric, zeaxanthin-binding LHCII in thylakoid membranes.Biophysical journal · 2022Article
- Improving photosynthesis through multidisciplinary efforts: The next frontier of photosynthesis research.Frontiers in plant science · 2022Article
- Glycoprotein molecular dynamics analysis: SARS-CoV-2 spike glycoprotein case study.Advances in protein chemistry and structural biology · 2022Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Photosynthesis is regulated by a dynamic interplay between proteins, enzymes, pigments, lipids, and cofactors that takes place on a large spatio-temporal scale. Molecular dynamics (MD) simulations provide a powerful toolkit to investigate dynamical processes in (bio)molecular ensembles from the (sub)picosecond to the (sub)millisecond regime and from the Å to hundreds of nm length scale. Therefore, MD is well suited to address a variety of questions arising in the field of photosynthesis research. In this review, we provide an introduction to the basic concepts of MD simulations, at atomistic and coarse-grained level of resolution. Furthermore, we discuss applications of MD simulations to model photosynthetic systems of different sizes and complexity and their connection to experimental observables. Finally, we provide a brief glance on which methods provide opportunities to capture phenomena beyond the applicability of classical MD.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.