md simulation analysis molecular dynamics simulations Search Results


gromacs molecular dynamics simulations  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc gromacs molecular dynamics simulations
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Gromacs Molecular Dynamics Simulations, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc12359856-205-178-179?v=Molecular+Dynamics+Inc
Average 86 stars, based on 1 article reviews
gromacs molecular dynamics simulations - by Bioz Stars, 2026-08
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atomistic molecular dynamics  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc atomistic molecular dynamics
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Atomistic Molecular Dynamics, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pm41842908-8-60-61?v=Molecular+Dynamics+Inc
Average 86 stars, based on 1 article reviews
atomistic molecular dynamics - by Bioz Stars, 2026-08
86/100 stars
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md simulation model  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc md simulation model
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Md Simulation Model, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc12749539-142-113-111?v=Molecular+Dynamics+Inc
Average 86 stars, based on 1 article reviews
md simulation model - by Bioz Stars, 2026-08
86/100 stars
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molecular dynamic simulations  (SATOR Therapeutics LLC)
90
SATOR Therapeutics LLC molecular dynamic simulations
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Molecular Dynamic Simulations, supplied by SATOR Therapeutics LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/10__1016_slash_j__chemgeo__2016__12__035-185-2-24?v=SATOR+Therapeutics+LLC
Average 90 stars, based on 1 article reviews
molecular dynamic simulations - by Bioz Stars, 2026-08
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molecular simulation analysis  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular simulation analysis
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Molecular Simulation Analysis, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc11298542-116-3-7?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular simulation analysis - by Bioz Stars, 2026-08
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dynamix-a scalable portable parallel md simulation package for arbitrary molecular mixtures  (Dynamix Pharmaceuticals)
90
Dynamix Pharmaceuticals dynamix-a scalable portable parallel md simulation package for arbitrary molecular mixtures
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Dynamix A Scalable Portable Parallel Md Simulation Package For Arbitrary Molecular Mixtures, supplied by Dynamix Pharmaceuticals, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pm25020237-475-17-9?v=Dynamix+Pharmaceuticals
Average 90 stars, based on 1 article reviews
dynamix-a scalable portable parallel md simulation package for arbitrary molecular mixtures - by Bioz Stars, 2026-08
90/100 stars
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molecular simulations  (Chemie GmbH)
90
Chemie GmbH molecular simulations
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Molecular Simulations, supplied by Chemie GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/10__1039_slash_c7ra11462a-11-59-14?v=Chemie+GmbH
Average 90 stars, based on 1 article reviews
molecular simulations - by Bioz Stars, 2026-08
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molecular dynamic simulations  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular dynamic simulations
Analysis of Wild and Mutant EGFR p.R521K Using <t>Gromacs</t> Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )
Molecular Dynamic Simulations, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc08907375-118-12-26?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular dynamic simulations - by Bioz Stars, 2026-08
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molecular dockings of the four selected ligand molecules to pre-md-simulated glur2  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular dockings of the four selected ligand molecules to pre-md-simulated glur2
Comparison of structural changes of glutamate receptor 2 <t>(GluR2)</t> during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.
Molecular Dockings Of The Four Selected Ligand Molecules To Pre Md Simulated Glur2, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc05535934-145-9-14?v=AUTODOCK+GmbH
Average 90 stars, based on 1 article reviews
molecular dockings of the four selected ligand molecules to pre-md-simulated glur2 - by Bioz Stars, 2026-08
90/100 stars
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molecular dynamics simulations peptides  (The Company of Biologists)
90
The Company of Biologists molecular dynamics simulations peptides
Comparison of structural changes of glutamate receptor 2 <t>(GluR2)</t> during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.
Molecular Dynamics Simulations Peptides, supplied by The Company of Biologists, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pm18515724-23-4-41?v=The+Company+of+Biologists
Average 90 stars, based on 1 article reviews
molecular dynamics simulations peptides - by Bioz Stars, 2026-08
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molecular dynamic simulation program  (Schrodinger LLC)
90
Schrodinger LLC molecular dynamic simulation program
Comparison of structural changes of glutamate receptor 2 <t>(GluR2)</t> during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.
Molecular Dynamic Simulation Program, supplied by Schrodinger LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/us09486422-411-10-20?v=Schrodinger+LLC
Average 90 stars, based on 1 article reviews
molecular dynamic simulation program - by Bioz Stars, 2026-08
90/100 stars
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s1 a structure independent molecular fragment interfuse model for mesoscale dissipative particle dynamics simulation of peptides  (Meso Scale Diagnostics LLC)
90
Meso Scale Diagnostics LLC s1 a structure independent molecular fragment interfuse model for mesoscale dissipative particle dynamics simulation of peptides
Comparison of structural changes of glutamate receptor 2 <t>(GluR2)</t> during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.
S1 A Structure Independent Molecular Fragment Interfuse Model For Mesoscale Dissipative Particle Dynamics Simulation Of Peptides, supplied by Meso Scale Diagnostics LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/md+simulation+analysis+molecular+dynamics+simulations/pmc11044228__ao3c09534_si_001-0-15-9?v=Meso+Scale+Diagnostics+LLC
Average 90 stars, based on 1 article reviews
s1 a structure independent molecular fragment interfuse model for mesoscale dissipative particle dynamics simulation of peptides - by Bioz Stars, 2026-08
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Image Search Results


Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Journal: BMC Cancer

Article Title: Exploring the mutational spectrum of key kinase genes PIK3CA , BRAF , EGFR , ALK and ROS1 in oral squamous cell carcinoma

doi: 10.1186/s12885-025-14609-8

Figure Lengend Snippet: Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I )

Article Snippet: Fig. 7 Analysis of Wild and Mutant EGFR p.R521K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 8 Analysis of Wild and Mutant EGFR p.R831C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 9 Analysis of Wild and Mutant ROS1 p.S2229C Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 10 Analysis of Wild and Mutant ROS1 p.E1902K Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 11 Analysis of Wild and Mutant ROS1 p.K2228Q Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 12 Analysis of Wild and Mutant ROS1 p.P221S Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 13 Analysis of Wild and Mutant ROS1 p.D2213N Using Gromacs Molecular Dynamics Simulations ( A - G ) and Ramachandran Plot Profiles ( H - I ) Fig. 14 Average Rg values of interacting sites mutations for EGFR and ROS1 (Both WT and MT)

Techniques: Mutagenesis

Comparison of structural changes of glutamate receptor 2 (GluR2) during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: Comparison of structural changes of glutamate receptor 2 (GluR2) during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques: Comparison

The docking result of ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal system. The red and black balls represent oxygen and carbon atoms. The black line represents backbone of GluR2.

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The docking result of ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal system. The red and black balls represent oxygen and carbon atoms. The black line represents backbone of GluR2.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques:

The snapshot of molecular dynamics simulation in ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal systems. The red, black and grey balls represent oxygen, carbon and hydrogen atoms. The black line represents backbone of GluR2.

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The snapshot of molecular dynamics simulation in ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal systems. The red, black and grey balls represent oxygen, carbon and hydrogen atoms. The black line represents backbone of GluR2.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques:

The backbone of GluR2 in cerbinal system at 2.0 ns and 4.0 ns. The black line is 2.0 ns and the gray line is 4.0 ns. The distance between A455 and R660 is shown.

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The backbone of GluR2 in cerbinal system at 2.0 ns and 4.0 ns. The black line is 2.0 ns and the gray line is 4.0 ns. The distance between A455 and R660 is shown.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques: