#moleculardynamicssimulations search results
The glycine (replacing the aspartic) in position 614 makes the furin-like cleavage site much more accessible to proteases and way more stable, say our #moleculardynamicssimulations
🗞️ “#MolecularDynamicsSimulations of #Liposomes: Structure, Dynamics, and Applications” by Mahmoud Moradi from @UArkansas, et al. 👉mdpi.com/3474638 #CoarseGrainedMolecularDynamics #MembraneBiophysics #LipidVesicleCurvature #PEGylation #CholesterolPartitioning
Molecular Dynamics Simulations of the... sci.fo/3f0 #Temporin #MolecularDynamicsSimulations @Molecules_MDPI
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation 田村宏之先生・中間貴寛先生・石北央先生・藤田誠先生 @UTokyo_News (東京大学) #MDシミュレーション #論文紹介 academic.oup.com/chemlett/artic…
#TotalSynthesis of the Death Cap #Toxin Phalloidin: Atropoisomer Selectivity Explained by #MolecularDynamicsSimulations @TUBerlin doi.wiley.com/10.1002/chem.2…
Entering the History of Engineering... find out how... pubs.acs.org/doi/10.1021/ac… #Rheology, #PolymerPhysics, #MolecularDynamicsSimulations, #SoftMatter
📢 New Special Issue Open for Submissions: Combined Quantum Mechanical and Molecular Mechanical Methods and Simulations II ✏️Guest edited by Prof. Carmen Domene and Prof. Dr. Mercedes Alfonso-Prieto 🔗mdpi.com/journal/molecu… 📌 #MolecularDynamicsSimulations #FreeEnergyMethods
Special Issue "In Silico Approaches in #DrugDesign" has published 13 papers. #ComputerAidedDrugDesign #MolecularDynamicsSimulations New Deadline: 30 April 2022 Prof. Dr. Osvaldo Andrade Santos-Filho is serving as the Guest Editor. 👉View Details Via: mdpi.com/journal/pharma…
Osaka University improves the performance heat flux modeling #moleculardynamicssimulations #manufacturing tinyurl.com/ybswt9q7
Japanese researchers discover a common vibrational mechanism in amorphous solids including glasses #moleculardynamicssimulations #materials supercomputingonline.com/latest/61783-j…
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation Article by Dr. Hiroyuki Tamura, Dr. Takahiro Nakama, Prof. Hiroshi Ishikita and Prof. Makoto Fujita @UTokyo_News_en (The University of Tokyo) #Encapsulation #Chemistry academic.oup.com/chemlett/artic…
Nickel-chelatase activity of SirB variants mimicking the His arrangement in the naturally occurring nickel-chelatase CfbA ➡️buff.ly/3xwGbKA #MolecularDynamicsSimulations
HITS MD simulations produce insights into protein complexes in cell migration #moleculardynamicssimulations #Cellbiology tinyurl.com/y8552h36
Using MD simulations, MIT chemists show how molecular clusters in the nucleus interact with chromosomes #moleculardynamicssimulations #Cellbiology tinyurl.com/y5kr2lwf
German researchers use MD simulations to learn how to protect biocatalysts from oxygen #biology #moleculardynamicssimulations tinyurl.com/2j92dddh
Chinese researchers develop computational strategy for heterogeneous catalysis #moleculardynamicssimulations #chemistry supercomputingonline.com/latest/61807-c…
Effect of Methionine Oxidation and Substitution of α-Conotoxin TxID on α3β4 Nicotinic Acetylcholine Receptor sci.fo/50t #MolecularDynamicsSimulations @Marine_Drugs
#mdpiprocesses Review "New Perspectives of CYP1B1 #Inhibitors in the Light of Molecular Studies", mdpi.com/2227-9717/9/5/…, feature paper from Prof. Renata Mikstacka and Dr. Zbigniew Dutkiewicz. #MolecularDynamicsSimulations
UK scientists perform supercomputer simulations to predict the behavior of TBOS as it turns to glass #moleculardynamicssimulations #materials tinyurl.com/2l75mha4
Schematic representation and functional form of the triangular-well pair potential. #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA
🗞️ “#MolecularDynamicsSimulations of #Liposomes: Structure, Dynamics, and Applications” by Mahmoud Moradi from @UArkansas, et al. 👉mdpi.com/3474638 #CoarseGrainedMolecularDynamics #MembraneBiophysics #LipidVesicleCurvature #PEGylation #CholesterolPartitioning
📢Read #NewPaper "Transverse Self-Propulsion Enhances the Aggregation of Active Dumbbells", by Pasquale Digregorio et al. 👉Find full article at: mdpi.com/1099-4300/27/7… #ActiveMatter #MolecularDynamicsSimulations #NonEquilibriumPhysics #PhaseDiagram #PhaseSeparation
🎓Editor’s Choice Article – “Membrane Charge Effects on Solute Transport in #Nanofiltration: Experiments and #MolecularDynamicsSimulations” by Richard M. Lueptow from @NorthwesternU, et al. 🔗mdpi.com/3363358 #SoluteTransport #WaterFiltration
💡New Special Issue open for submissions 💡– “#MolecularDynamicsSimulations in #BiologicalMembranes” 🎓Guest Editor: Prof. Dr. Jingjing Guo from @mpu1991 ⏳Submission deadline: 31 October 2025 Check more here 👉 mdpi.com/journal/membra… #CallforPapers
📃Review Paper 2023 – “Building #AsymmetricLipidBilayers for #MolecularDynamicsSimulations: What Methods Exist and How to Choose One?” 4297 views and 10 citations! by Milka Doktorova from @UVA, et al. ➡️mdpi.com/2365008 #MembraneAsymmetry #DifferentialStress
Scientists from @NTUsg performed #MolecularDynamicsSimulations on FCDI to assess the SLi+/Na+ value of ZIF-8s with distinct functional groups (CH3, Cl, and Br) serving as #CationExchangeMembranes. #MetalOrganicFramework ACS ES&T Water: go.acs.org/anB
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation Article by Dr. Hiroyuki Tamura, Dr. Takahiro Nakama, Prof. Hiroshi Ishikita and Prof. Makoto Fujita @UTokyo_News_en (The University of Tokyo) #Encapsulation #Chemistry academic.oup.com/chemlett/artic…
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation 田村宏之先生・中間貴寛先生・石北央先生・藤田誠先生 @UTokyo_News (東京大学) #MDシミュレーション #論文紹介 academic.oup.com/chemlett/artic…
Nickel-chelatase activity of SirB variants mimicking the His arrangement in the naturally occurring nickel-chelatase CfbA ➡️buff.ly/3xwGbKA #MolecularDynamicsSimulations
Article Recommendation Title: Data-driven prediction of the glass-forming ability of modeled alloys by supervised machine learning Link: oaepublish.com/articles/jmi.2… Keywords: #MetallicGlasses, #MolecularDynamicsSimulations, #glass-forming ability, #machinelearning, #datamining
👋 Please share: The research group "Molecular Modeling" @LeibnizLSB is looking for a PhD student to start on 01/07/2024 @dipizio_lab #LigandDocking #MolecularDynamicsSimulations #modeling leibniz-lsb.de/index.php?eID=…
💥Highly Viewed Special Issue💥 ✨#MolecularDynamicsSimulations in #BiologicalMembrane Systems mdpi.com/si/99708 Edited by Dr. Hugo A. L. Filipe (Polytechnic Institute of Guarda), Prof. Dr. Maria João Moreno and Prof. Dr. Luís M. S. Loura (University of Coimbra) Views 14888
Thank you to all the @EBItraining team for delivering such a great course on #structuralbioinformatics and #moleculardynamicssimulations. Happy to have been a part of it.
We've loved hosting @ccpbiosim this week's workshop on #structuralbioinformatics resources and tools for #moleculardynamics simulations. Run in association with @CoSeC_community and @STFC_Matters. Discover on-demand structural biology training: ebi.ac.uk/training/on-de…
UK scientists perform supercomputer simulations to predict the behavior of TBOS as it turns to glass #moleculardynamicssimulations #materials tinyurl.com/2l75mha4
A set of methods that combine molecular-dynamics simulations of protein crystals with conventional modeling and refinement tools have been developed & provide mechanistic insights #MolecularDynamicsSimulations #WaterStructure #ConformationalEnsemble doi.org/10.1107/S20597…
German researchers use MD simulations to learn how to protect biocatalysts from oxygen #biology #moleculardynamicssimulations tinyurl.com/2j92dddh
David C. Wych et al.: Molecular-dynamics simulation methods for macromolecular crystallography #MolecularDynamicsSimulations #WaterStructure #ConformationalEnsemble ... #IUCr scripts.iucr.org/cgi-bin/paper?…
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation 田村宏之先生・中間貴寛先生・石北央先生・藤田誠先生 @UTokyo_News (東京大学) #MDシミュレーション #論文紹介 academic.oup.com/chemlett/artic…
#TotalSynthesis of the Death Cap #Toxin Phalloidin: Atropoisomer Selectivity Explained by #MolecularDynamicsSimulations @TUBerlin doi.wiley.com/10.1002/chem.2…
Molecular Dynamics Simulations of the... sci.fo/3f0 #Temporin #MolecularDynamicsSimulations @Molecules_MDPI
Special Issue "In Silico Approaches in #DrugDesign" has published 13 papers. #ComputerAidedDrugDesign #MolecularDynamicsSimulations New Deadline: 30 April 2022 Prof. Dr. Osvaldo Andrade Santos-Filho is serving as the Guest Editor. 👉View Details Via: mdpi.com/journal/pharma…
Nickel-chelatase activity of SirB variants mimicking the His arrangement in the naturally occurring nickel-chelatase CfbA ➡️buff.ly/3xwGbKA #MolecularDynamicsSimulations
Entering the History of Engineering... find out how... pubs.acs.org/doi/10.1021/ac… #Rheology, #PolymerPhysics, #MolecularDynamicsSimulations, #SoftMatter
#CoordinationCages , #MolecularDynamicsSimulations , #ProteinEncapsulation Article by Dr. Hiroyuki Tamura, Dr. Takahiro Nakama, Prof. Hiroshi Ishikita and Prof. Makoto Fujita @UTokyo_News_en (The University of Tokyo) #Encapsulation #Chemistry academic.oup.com/chemlett/artic…
📢 New Special Issue Open for Submissions: Combined Quantum Mechanical and Molecular Mechanical Methods and Simulations II ✏️Guest edited by Prof. Carmen Domene and Prof. Dr. Mercedes Alfonso-Prieto 🔗mdpi.com/journal/molecu… 📌 #MolecularDynamicsSimulations #FreeEnergyMethods
#mdpiprocesses Review "New Perspectives of CYP1B1 #Inhibitors in the Light of Molecular Studies", mdpi.com/2227-9717/9/5/…, feature paper from Prof. Renata Mikstacka and Dr. Zbigniew Dutkiewicz. #MolecularDynamicsSimulations
Effect of Methionine Oxidation and Substitution of α-Conotoxin TxID on α3β4 Nicotinic Acetylcholine Receptor sci.fo/50t #MolecularDynamicsSimulations @Marine_Drugs
Our #ICSTCF21Poster about Self-diffusion coefficient and thermodynamic properties of the triangular-well fluid from Molecular Dynamics simulations. @vmtrejosm @Alpixels #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA
Natural logarithm of the self-diffusion coefficient as a function of the inverse of temperature, for different potential ranges and radial distribution function for a system of particles interacting via a TW potential. #ICSTCF21Poster #MolecularDynamicsSimulations #CFA
A set of methods that combine molecular-dynamics simulations of protein crystals with conventional modeling and refinement tools have been developed & provide mechanistic insights #MolecularDynamicsSimulations #WaterStructure #ConformationalEnsemble doi.org/10.1107/S20597…
Using #moleculardynamicssimulations, researchers @SINTEF and @NTNUnorway showed that #graphene protects #polymer substrates from wear during #AFM and identify the mechanism of this protection. 👉 beilstein-journals.org/bjnano/article… 100% #OpenAccess 🔓 in the #BJNANO
👋 Please share: The research group "Molecular Modeling" @LeibnizLSB is looking for a PhD student to start on 01/07/2024 @dipizio_lab #LigandDocking #MolecularDynamicsSimulations #modeling leibniz-lsb.de/index.php?eID=…
Scientists from @NTUsg performed #MolecularDynamicsSimulations on FCDI to assess the SLi+/Na+ value of ZIF-8s with distinct functional groups (CH3, Cl, and Br) serving as #CationExchangeMembranes. #MetalOrganicFramework ACS ES&T Water: go.acs.org/anB
Schematic representation and functional form of the triangular-well pair potential. #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA
Excess energy as a function of density for triangular-well fluids at different temperatures ranges. #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA
Triangular-well fluids velocity auto-correlation function for long range attraction at different isoterms, for different density regimes. #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA #VACF
Vapor-liquid phase coexistence predicted by the TW-EoS. Fluids studied in this work are: a) hydrogen sulfide, b) methane, c) oxygen and d) fluoromethane. #ICSTCF21Poster #MolecularDynamicsSimulations #PerturbationTheory #ComputationalSimulations #CFA
Something went wrong.
Something went wrong.
United States Trends
- 1. Epstein 1.2M posts
- 2. Tarik Skubal 5,976 posts
- 3. Cy Young 13.3K posts
- 4. Paul Skenes 8,777 posts
- 5. Virginia Giuffre 67.8K posts
- 6. Steam Machine 64.4K posts
- 7. Starship 14.6K posts
- 8. Igor 8,872 posts
- 9. Raising Arizona N/A
- 10. Bill Clinton 29K posts
- 11. Valve 43.6K posts
- 12. #GoBolts N/A
- 13. Xbox 66.2K posts
- 14. #dispatch 61.5K posts
- 15. Borgen N/A
- 16. #LightningStrikes N/A
- 17. Dana Williamson 13.5K posts
- 18. Blanca 25.9K posts
- 19. Situation Room 12.5K posts
- 20. Tim Burchett 26.1K posts