#molecular_dynamics_simulations search results
Systematic Comparison of the Structural and Dynamic Properties of Commonly Used #Water_Models for #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @MeftahiNastaran @AaronElbourne @AgilioPadua @QuinnBesford @VizProd #current_issue #compchem
#Molecular_Dynamics_Simulations of the Aptamer Domain of #Guanidinium_Ion_Binding_Riboswitch ykkC-III: Structural Insights into the Discrimination of Cognate and Alternate Ligands pubs.acs.org/doi/10.1021/ac… #current_issue #Computational_Biochemistry
Large-Scale #Membrane_Permeability_Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @benchan05 #current_issue #Pharmaceutical_Modeling
A Boron-Containing Compound Acting on Multiple Targets Against #Alzheimers Disease. Insights from Ab Initio and #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @gloria_aml #current_issue #compchem
Fighting Against #Bacterial_Lipopolysaccharide Caused Infections through #Molecular_Dynamics_Simulations: A Review pubs.acs.org/doi/10.1021/ac… @mms_boku #current_issue #Reviews
Check out our recent paper on "Evidence for Glass Behavior in Amorphous Carbon" mdpi.com/2311-5629/6/3/… #mdpicarbon via @MDPIOpenAccess #Molecular_Dynamics_Simulations @CurtinUni @CurtinMedia
Dissecting the Role of #N_Glycan at N413 in Toll-like Receptor 3 via #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @wyb2016nyc #ASAP
Understanding the Origin of #Enhanced_Piezoelectric_Response in PVDF Matrices with Embedded ZnO Nanoparticles, from Polarizable #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @JAPerezTaborda #current_issue #compchem
#Highly_cited "Plasticity through De-Twinning in Twinned BCC Nanowires" by G. Sainath. 👉You can read it here: mdpi.com/2073-4352/10/5… #molecular_dynamics_simulations #nanowires #twin_boundaries
#Highly_cited "Comparison of the Ionic Liquid Crystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli 👉You can read it here: mdpi.com/2073-4352/10/4… #ionic_liquid_crystals #molecular_dynamics_simulations #ionic_liquids
![Crystals_MDPI's tweet image. #Highly_cited
"Comparison of the Ionic Liquid Crystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli
👉You can read it here: mdpi.com/2073-4352/10/4…
#ionic_liquid_crystals
#molecular_dynamics_simulations
#ionic_liquids](https://pbs.twimg.com/media/FiSsEZlaAAA3SU1.jpg)
Read the Editor's choice paper in #MDPICrystals: "Comparison of the #IonicLiquidCrystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli 👉You can read it here: mdpi.com/2073-4352/10/4… #molecular_dynamics_simulations #anion_size
![Crystals_MDPI's tweet image. Read the Editor's choice paper in #MDPICrystals: "Comparison of the #IonicLiquidCrystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli
👉You can read it here: mdpi.com/2073-4352/10/4…
#molecular_dynamics_simulations
#anion_size](https://pbs.twimg.com/media/Fe6jE1oXEAEqQTY.jpg)
Jamie @macphersonjs, our joint PhD student with @FraternaliLab, about to start his thesis defence seminar. Smashed it! Check out his @biorxivpreprint paper: biorxiv.org/content/early/…, #allostery, #PKM2, #molecular_dynamics_simulations, #native_MS, @PerditaB.
Research Position in #Molecular_Dynamics_Simulations, University of Southampton, #UK: Study Subject(s): Molecular... http://dlvr.it/bTQsw
#Highly_cited "Plasticity through De-Twinning in Twinned BCC Nanowires" by G. Sainath. 👉You can read it here: mdpi.com/2073-4352/10/5… #molecular_dynamics_simulations #nanowires #twin_boundaries
#Highly_cited "Comparison of the Ionic Liquid Crystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli 👉You can read it here: mdpi.com/2073-4352/10/4… #ionic_liquid_crystals #molecular_dynamics_simulations #ionic_liquids
Read the Editor's choice paper in #MDPICrystals: "Comparison of the #IonicLiquidCrystal Phase of [C12C1im][BF4] and [C12C1im]Cl by Atomistic MD Simulations" by Giacomo Saielli. @gsaielli 👉You can read it here: mdpi.com/2073-4352/10/4… #molecular_dynamics_simulations #anion_size
Dissecting the Role of #N_Glycan at N413 in Toll-like Receptor 3 via #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @wyb2016nyc #ASAP
#Molecular_Dynamics_Simulations of the Aptamer Domain of #Guanidinium_Ion_Binding_Riboswitch ykkC-III: Structural Insights into the Discrimination of Cognate and Alternate Ligands pubs.acs.org/doi/10.1021/ac… #current_issue #Computational_Biochemistry
Fighting Against #Bacterial_Lipopolysaccharide Caused Infections through #Molecular_Dynamics_Simulations: A Review pubs.acs.org/doi/10.1021/ac… @mms_boku #current_issue #Reviews
Understanding the Origin of #Enhanced_Piezoelectric_Response in PVDF Matrices with Embedded ZnO Nanoparticles, from Polarizable #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @JAPerezTaborda #current_issue #compchem
Systematic Comparison of the Structural and Dynamic Properties of Commonly Used #Water_Models for #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @MeftahiNastaran @AaronElbourne @AgilioPadua @QuinnBesford @VizProd #current_issue #compchem
Large-Scale #Membrane_Permeability_Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @benchan05 #current_issue #Pharmaceutical_Modeling
A Boron-Containing Compound Acting on Multiple Targets Against #Alzheimers Disease. Insights from Ab Initio and #Molecular_Dynamics_Simulations pubs.acs.org/doi/10.1021/ac… @gloria_aml #current_issue #compchem
Check out our recent paper on "Evidence for Glass Behavior in Amorphous Carbon" mdpi.com/2311-5629/6/3/… #mdpicarbon via @MDPIOpenAccess #Molecular_Dynamics_Simulations @CurtinUni @CurtinMedia
Jamie @macphersonjs, our joint PhD student with @FraternaliLab, about to start his thesis defence seminar. Smashed it! Check out his @biorxivpreprint paper: biorxiv.org/content/early/…, #allostery, #PKM2, #molecular_dynamics_simulations, #native_MS, @PerditaB.
Research Position in #Molecular_Dynamics_Simulations, University of Southampton, #UK: Study Subject(s): Molecular... http://dlvr.it/bTQsw
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