 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
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| MeSH Number(s) |
E05.599.595.500 G02.575.750 L01.224.160.500
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| 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
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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 | 1 | 0 | 1 | | 2009 | 0 | 1 | 1 | | 2010 | 7 | 3 | 10 | | 2011 | 8 | 7 | 15 | | 2012 | 12 | 15 | 27 | | 2013 | 16 | 3 | 19 | | 2014 | 10 | 7 | 17 | | 2015 | 13 | 7 | 20 | | 2016 | 6 | 7 | 13 | | 2017 | 7 | 8 | 15 | | 2018 | 9 | 15 | 24 | | 2019 | 5 | 4 | 9 | | 2020 | 4 | 11 | 15 | | 2021 | 1 | 2 | 3 |
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Below are the most recent publications written about "Molecular Dynamics Simulation" by people in Profiles.
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Zhao R, Dai H, Arias RJ, De Blas GA, Orta G, Pavarotti MA, Shen R, Perozo E, Mayorga LS, Darszon A, Goldstein SAN. Direct activation of the proton channel by albumin leads to human sperm capacitation and sustained release of inflammatory mediators by neutrophils. Nat Commun. 2021 06 22; 12(1):3855.
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Wong KM, Shao Q, Wang Y, Seroski DT, Liu R, Lint AH, Hudalla GA, Hall CK, Paravastu AK. CATCH Peptides Coassemble into Structurally Heterogeneous ß-Sheet Nanofibers with Little Preference to ß-Strand Alignment. J Phys Chem B. 2021 04 29; 125(16):4004-4015.
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Alberini G, Benfenati F, Maragliano L. Structural Mechanism of ?-Currents in a Mutated Kv7.2 Voltage Sensor Domain from Molecular Dynamics Simulations. J Chem Inf Model. 2021 03 22; 61(3):1354-1367.
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Basak S, Kumar A, Ramsey S, Gibbs E, Kapoor A, Filizola M, Chakrapani S. High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition. Elife. 2020 10 16; 9.
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Lorpaiboon C, Thiede EH, Webber RJ, Weare J, Dinner AR. Integrated Variational Approach to Conformational Dynamics: A Robust Strategy for Identifying Eigenfunctions of Dynamical Operators. J Phys Chem B. 2020 10 22; 124(42):9354-9364.
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Dajnowicz S, Ghoreishi D, Modugula K, Damm W, Harder ED, Abel R, Wang L, Yu HS. Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials. J Chem Theory Comput. 2020 Nov 10; 16(11):6926-6937.
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Cottone G, Chiodo L, Maragliano L. Thermodynamics and Kinetics of Ion Permeation in Wild-Type and Mutated Open Active Conformation of the Human a7 Nicotinic Receptor. J Chem Inf Model. 2020 10 26; 60(10):5045-5056.
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Henry L, Berntsson O, Panman MR, Cellini A, Hughes AJ, Kosheleva I, Henning R, Westenhoff S. New Light on the Mechanism of Phototransduction in Phototropin. Biochemistry. 2020 09 08; 59(35):3206-3215.
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Criscuolo S, Gatti Iou M, Merolla A, Maragliano L, Cesca F, Benfenati F. Engineering REST-Specific Synthetic PUF Proteins to Control Neuronal Gene Expression: A Combined Experimental and Computational Study. ACS Synth Biol. 2020 08 21; 9(8):2039-2054.
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Kumar A, Basak S, Rao S, Gicheru Y, Mayer ML, Sansom MSP, Chakrapani S. Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun. 2020 07 27; 11(1):3752.
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