μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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The structural basis of the dominant negative phenotype of the Gαi1β1γ2 G203A/A326S heterotrimer.A fast, open source implementation of adaptive biasing potentials uncovers a ligand design strategy for the chromatin regulator BRD4.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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P1476

μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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P2093

Bradley M Dickson

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Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

Approaching a parameter-free metadynamics

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Escaping free-energy minima.

A bias-exchange approach to protein folding.

Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction.

Metadynamics with Adaptive Gaussians.

Well-tempered metadynamics converges asymptotically.

Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.

Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics.

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scholarly article

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10.1063/1.4937939

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English

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143

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2015-12-01T00:00:00Z

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1511.00558

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μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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P2860

P2860

μ-tempered metadynamics: Artifact independent convergence times for wide hills.

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P1433

P1476

P2093

P2860

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P1476

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P698

P818