Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension. - Wikidata - awgldk - TriplyDB

Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

http://www.wikidata.org/entity/Q40828422

about

Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa.Modeling of Oligosaccharides within Glycoproteins from Free-Energy Landscapes.CHARMM-GUI 10 years for biomolecular modeling and simulation.Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.Conformational Preference of Serogroup B Salmonella O Polysaccharide in Presence and Absence of the Monoclonal Antibody Se155-4.An Unusual Carbohydrate Conformation is Evident in Moraxella catarrhalis Oligosaccharides.Conformational Heterogeneity of the HIV Envelope Glycan Shield.Efficient free energy calculations by combining two complementary tempering sampling methods.Computer-Aided Drug Design Methods.Unraveling the structural and molecular properties of 34-residue levans with various branching degrees by replica exchange molecular dynamics simulations

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P2860

Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

http://www.wikidata.org/entity/Q40828422

description

2015 nî lūn-bûn

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2015年の論文

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2015年学术文章

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2015年学术文章

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2015年学术文章

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2015年学术文章

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2015年学术文章

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2015年學術文章

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2015年學術文章

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2015年學術文章

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name

Enhanced conformational sampli ...... ing realized in one dimension.

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Enhanced conformational sampli ...... ing realized in one dimension.

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Enhanced conformational sampli ...... ing realized in one dimension.

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ACS.JCTC.5B00243

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Journal of Chemical Theory and Computation

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Enhanced conformational sampli ...... sing realized in one dimension

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P2093

Mingjun Yang

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P2860

Canonical dynamics: Equilibrium phase-space distributions

CHARMM: the biomolecular simulation program

Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies

Structural basis for diverse N-glycan recognition by HIV-1–neutralizing V1–V2–directed antibody PG16

Crystal Structure of a Soluble Cleaved HIV-1 Envelope Trimer

All-atom empirical potential for molecular modeling and dynamics studies of proteins

Computational fragment-based binding site identification by ligand competitive saturation

Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

The influence of N-linked glycans on the molecular dynamics of the HIV-1 gp120 V3 loop.

P304

2855-2867

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scholarly article

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10.1021/ACS.JCTC.5B00243

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6

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26082676

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