 Molecular Dynamics Simulation
"Molecular Dynamics Simulation" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus,
MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure,
which enables searching at various levels of specificity.
A computer simulation developed to study the motion of molecules over a period of time.
| Descriptor ID |
D056004
|
| MeSH Number(s) |
E05.599.595.500 G02.111.570.895 L01.224.160.500
|
| Concept/Terms |
Molecular Dynamics Simulation- Molecular Dynamics Simulation
- Dynamics Simulation, Molecular
- Dynamics Simulations, Molecular
- Simulation, Molecular Dynamics
- Simulations, Molecular Dynamics
- Molecular Dynamics Simulations
Molecular Dynamics- Molecular Dynamics
- Dynamic, Molecular
- Dynamics, Molecular
- Molecular Dynamic
|
Below are MeSH descriptors whose meaning is more general than "Molecular Dynamics Simulation".
Below are MeSH descriptors whose meaning is more specific than "Molecular Dynamics Simulation".
This graph shows the total number of publications written about "Molecular Dynamics Simulation" by people in this website by year, and whether "Molecular Dynamics Simulation" was a major or minor topic of these publications.
To see the data from this visualization as text, click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 2007 | 0 | 1 | 1 | | 2010 | 4 | 8 | 12 | | 2011 | 6 | 7 | 13 | | 2012 | 7 | 6 | 13 | | 2013 | 6 | 13 | 19 | | 2014 | 3 | 12 | 15 | | 2015 | 5 | 11 | 16 | | 2016 | 9 | 12 | 21 | | 2017 | 6 | 8 | 14 | | 2018 | 6 | 9 | 15 | | 2019 | 3 | 17 | 20 | | 2020 | 1 | 10 | 11 | | 2021 | 1 | 9 | 10 | | 2022 | 4 | 4 | 8 | | 2023 | 2 | 2 | 4 | | 2024 | 5 | 5 | 10 | | 2025 | 1 | 8 | 9 | | 2026 | 4 | 10 | 14 |
To return to the timeline, click here.
Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
-
Wilhelm FM, Pluhackova K, Janetzko J, Masureel M, Marsh E, Hudspeth J, Gaßner W, Schertler GFX, Kobilka BK, Müller DJ. Factors modulating the assembly of human ß2-adrenergic receptor-ß-arrestin complexes. Nat Struct Mol Biol. 2026 Aug; 33(8):1158-1170.
-
Lee E, Redzic JS, Sarkar S, Rivkin D, Gordon B, Saviola AJ, Maroney SP, Thorstenson JC, Hansen KC, Horswill AR, Hamelberg D, Eisenmesser E. N-terminal processing unlocks global dynamics for substrate engagement in Spl proteases. Sci Adv. 2026 07 24; 12(30):eaeh5197.
-
Mehranfar A, Betterton MD, Faller R. Kinesin-5/Cut7 C-terminal tail phosphorylation influence on motor regulation through multi-scale molecular modeling. Biophys J. 2026 Aug 04; 125(15):3955-3977.
-
Lietzke EE, Saeb D, Aldrich EC, de Menezes RF, Bruce KD, Sprenger KG. Uncovering the biological mechanisms of TREM2 with molecular simulations: A comprehensive review and perspective. Prog Biophys Mol Biol. 2026 Sep; 201:189-211.
-
Wooten E, Chon NL, Dzhalolov M, Zheng H, Lin H. Protonation States of Proton-Sensing Glutamate Residues in Transporter Sialin. Int J Mol Sci. 2026 May 21; 27(10).
-
Kroft CW, Krall JB, Warchol M, Welty R, Herbert A, Henen MA, Vögeli B. Za and Zß domains of ADAR1 and ZBP1 bind G-quadruplexes with nanomolar affinities, establishing Zß as a G-quadruplex-specific domain. Nucleic Acids Res. 2026 Apr 23; 54(8).
-
Wang L, Alibay I, Behara PK, Boothroyd S, Cavender CE, Horton JT, McIsaac AR, Mitchell A, Morales B, Thompson MW, Wagner JR, Westbrook BR, Bayly CI, Chodera JD, Cole DJ, Eastwood JRB, Shirts MR, Mobley DL. Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model. J Chem Theory Comput. 2026 May 12; 22(9):4507-4531.
-
Laursen SP, Luger K. Histone diversity in the archaeal domain of life. Nat Commun. 2026 Apr 15; 17(1).
-
Zhang H, Wei T, Panchenko AR, Musselman CA, Peng Y. MD2NMR: Linking molecular dynamics with NMR relaxation. Biophys J. 2026 Jun 02; 125(11):2555-2566.
-
Manna P, Hix MA, Mukherjee S, Walker AR, Jimenez R. Dark-State-Mediated Photobleaching in mCherry-Based Red Fluorescent Proteins. J Phys Chem Lett. 2026 Mar 26; 17(12):3596-3604.
|
People  People who have written about this concept. _
Similar Concepts
People who have written about this concept.
_
Top Journals
Top journals in which articles about this concept have been published.
|