Keyword Connections

molecular dynamics

Journals

31

1 European journal of medicinal chemistry

2 Bioorganic chemistry

3 Scientific reports

4 Nanomaterials (Basel, Switzerland)

5 BMC Bioinformatics

6 Molecular diversity

7 Computers in biology and medicine

8 advanced materials (deerfield beach, fla)

9 journal of molecular modeling

10 Data in brief

11 journal of chromatography a

12 Science advances

13 journal of molecular graphics & modelling

14 Computational biology and chemistry

15 ground water

16 Anatolian journal of cardiology

17 Journal of nanoscience and nanotechnology

18 Journal of biomolecular structure & dynamics

19 the journal of physical chemistry a

20 Proteins

21 journal of computer-aided molecular design

22 Journal of the Air & Waste Management Association (1995)

23 Parasites & vectors

24 Journal of chemical information and modeling

25 protein engineering, design & selection : peds

26 ieee transactions on visualization and computer graphics

27 faseb journal : official publication of the federation of american societies for experimental biology

28 Frontiers in molecular biosciences

29 simulation in healthcare : journal of the society for simulation in healthcare

30 molecular therapy oncolytics

31 Zhonghua bing li xue za zhi = Chinese journal of pathology

Research Groups

0

No Research Group Connected

Bibliographies

40

1 Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24.

2 SNP2SIM: a modular workflow for standardizing molecular simulation and functional analysis of protein variants.

3 Potential inhibitors of the enzyme acetylcholinesterase and juvenile hormone with insecticidal activity: study of the binding mode via docking and molecular dynamics simulations.

4 Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.

5 Understanding adsorption behavior of α-chymotrypsin onto cation exchanger using all-atom molecular dynamics simulations.

6 Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120.

7 and MD Simulation Study to Explore Physicochemical Parameters for Antibacterial Peptide to Become Potent Anticancer Peptide.

8 Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism.

9 Analysis of Soft Tissue Materials for Simulation Development.

10 Shallow Sand Equations: Real-Time Height Field Simulation of Dry Granular Flows.

11 High-Performance Analysis of Biomolecular Containers to Measure Small-Molecule Transport, Transbilayer Lipid Diffusion, and Protein Cavities.

12 Three-dimensional cellular automaton simulation of coupled hydrogen porosity and microstructure during solidification of ternary aluminum alloys.

13 Pharmacophore-based designing of putative ROS-1 targeting agents for NSCLC.

14 AMBER parameters and topology data of 2-pentylpyrrole adduct of arginine with 4-hydroxy-2-nonenal.

15 Highly Charge Transport Thermally Activated Delayed Fluorescence Host Materials Based on Benzimidazole-Acridine Derivatives.

16 Vibrational Spectra of the Ruthenium-Tris-Bipyridine Dication and Its Reduced Form in Vacuo.

17 Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects.

18 Exploiting equilibrium-kinetic synergetic effect for separation of ethylene and ethane in a microporous metal-organic framework.

19 Glyphosate adsorption on C fullerene in aqueous medium for water reservoir depollution.

20 Synthesis, biological evaluation and molecular dynamics studies of 1,2,4-triazole clubbed Mannich bases.

21 Computational Design of a Carbon Nanotube Fluorofullerene Biosensor

22 Phase Transition of Single-Layer Molybdenum Disulfide Nanosheets under Mechanical Loading Based on Molecular Dynamics Simulations

23 Understanding the Behavior of Fully Non-Toxic Polypyrrole-Gelatin and Polypyrrole-PVdF Soft Actuators with Choline Ionic Liquids

24 Understanding the Behavior of Fully Non-Toxic Polypyrrole-Gelatin and Polypyrrole-PVdF Soft Actuators with Choline Ionic Liquids

25 hydrogen bonding in a l-glutamine-based polyamidoamino acid and its ph-dependent self-ordered coil conformation

26 temperature and stretching effects on complementarity determining regions (cdrs) conformation and stability of nimotuzumab f(ab)-fragment

27 computational tools to investigate genetic cardiac channelopathies

28 erratum: how to make the ghosts in my bedroom disappear? focused-attention meditation combined with muscle relaxation (mr therapy) — a direct treatment intervention for sleep paralysis

29 the influence of the excitation pulse shape on the stress wave propagation in a bcc iron crystal

30 dislocation structure and mobility in hcp rare-gas solids: quantum versus classical

31 a coarse-grained dna model parameterized from atomistic simulations by inverse monte carlo

32 rational design of novel, fluorescent, tagged glutamic acid dendrimers with different terminal groups and in silico analysis of their properties

33 molecular modeling to study dendrimers for biomedical applications

34 modeling chemical reactions by qm/mm calculations: the case of the tautomerization in fireflies bioluminescent systems

35 molecular dynamics simulations capture the misfolding of the bovine prion protein at acidic ph

36 simple approach for ranking structure determining residues

37 Structure and Dynamics of Interfacial Water on Muscovite Surface under Different Temperature Conditions (298 K to 673 K): Molecular Dynamics Investigation

38 The two sides of the spectrum: Paravalvular mitral regurgitation.

39 Introduction of protein vaccine candidate based on AP65, AP33, and α-actinin proteins against Trichomonas vaginalis parasite: an immunoinformatics design.

40 [Clinicopathological characteristics and immune microenvironment of breast squamous cell carcinoma].