Item Type | Name |
Concept
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Amino Acids
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Concept
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Algorithms
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Concept
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Amino Acid Sequence
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Concept
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Carbohydrate Sequence
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Concept
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Animals
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Concept
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Computer Graphics
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Concept
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Computer Simulation
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Concept
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Guinea Pigs
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Concept
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HIV
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Concept
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Escherichia coli
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Concept
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Leucine
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Concept
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Mathematical Computing
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Concept
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Lipids
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Concept
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Molecular Sequence Data
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Concept
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Monte Carlo Method
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Concept
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Cricetinae
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Concept
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Ligands
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Concept
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Lipid Bilayers
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Concept
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Lipopolysaccharides
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Concept
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Gram-Negative Bacteria
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Concept
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Humans
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Concept
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Software
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Concept
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Ion Transport
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Concept
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Xenopus laevis
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Concept
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Yeasts
|
Concept
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Campylobacter jejuni
|
Concept
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Bacteriophage T4
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Concept
|
Amino Acid Transport System X-AG
|
Concept
|
Amino Acid Substitution
|
Concept
|
Internet
|
Concept
|
Databases, Protein
|
Concept
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Cell Line, Tumor
|
Concept
|
Aspergillus
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Concept
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Cell Line
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Concept
|
User-Computer Interface
|
Concept
|
Databases, Factual
|
Concept
|
Computational Biology
|
Concept
|
Sarcoplasmic Reticulum Calcium-Transporting ATPases
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Concept
|
Molecular Dynamics Simulation
|
Academic Article
|
Papaverine, a vasodilator, blocks the pore of the HERG channel at submicromolar concentration.
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Academic Article
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CHARMM-GUI Membrane Builder toward realistic biological membrane simulations.
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Academic Article
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CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems.
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Academic Article
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Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
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Academic Article
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Cholesterol flip-flop: insights from free energy simulation studies.
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Academic Article
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Molecular dynamics simulations of the Cx26 hemichannel: insights into voltage-dependent loop-gating.
|
Academic Article
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Lipopolysaccharide membrane building and simulation.
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Academic Article
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CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.
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Academic Article
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Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.
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Academic Article
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Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors.
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Academic Article
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Novel pyrrolopyrimidine-based a-helix mimetics: cell-permeable inhibitors of protein-protein interactions.
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Academic Article
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NMR-based simulation studies of Pf1 coat protein in explicit membranes.
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Academic Article
|
Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics.
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Academic Article
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H(1) antihistamine drug promethazine directly blocks hERG K(+) channel.
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Academic Article
|
Solid-State NMR-Restrained Ensemble Dynamics of a Membrane Protein in Explicit Membranes.
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Academic Article
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Automated builder and database of protein/membrane complexes for molecular dynamics simulations.
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Academic Article
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Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables.
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Academic Article
|
Glycan fragment database: a database of PDB-based glycan 3D structures.
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Academic Article
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CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations.
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Academic Article
|
ST-analyzer: a web-based user interface for simulation trajectory analysis.
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Academic Article
|
Exploring the conformational transitions of biomolecular systems using a simple two-state anisotropic network model.
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Academic Article
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CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application.
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Academic Article
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PBEQ-Solver for online visualization of electrostatic potential of biomolecules.
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Academic Article
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CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes.
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Academic Article
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Preferred conformations of N-glycan core pentasaccharide in solution and in glycoproteins.
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Academic Article
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CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.
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Academic Article
|
Roles of glycans in interactions between gp120 and HIV broadly neutralizing antibodies.
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Academic Article
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Leveraging the Information from Markov State Models To Improve the Convergence of Umbrella Sampling Simulations.
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Academic Article
|
CHARMM-GUI 10 years for biomolecular modeling and simulation.
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Academic Article
|
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.
|
Academic Article
|
Correction to Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
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Academic Article
|
Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
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Academic Article
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CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans.
|
Academic Article
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Exploring protein-protein interactions using the site-identification by ligand competitive saturation methodology.
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Academic Article
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Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.
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Academic Article
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Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots).
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Academic Article
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Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach.
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Academic Article
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Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS).
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Academic Article
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Rapid and accurate estimation of protein-ligand relative binding affinities using site-identification by ligand competitive saturation.
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Academic Article
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CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems.
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Academic Article
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Application of Site-Identification by Ligand Competitive Saturation in Computer-Aided Drug Design.
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Concept
|
Machine Learning
|
Concept
|
Databases, Chemical
|
Concept
|
Molecular Docking Simulation
|