Sculpting bespoke mountains: Determining free energies with basis expansions.

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Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction.

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P2860

Sculpting bespoke mountains: Determining free energies with basis expansions.

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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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Sculpting bespoke mountains: Determining free energies with basis expansions.

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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P1476

Sculpting bespoke mountains: Determining free energies with basis expansions

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P2093

Aaron M Fluitt

http://www.w3.org/2001/XMLSchema#string

Jian Qin

http://www.w3.org/2001/XMLSchema#string

Jonathan K Whitmer

http://www.w3.org/2001/XMLSchema#string

Juan J de Pablo

http://www.w3.org/2001/XMLSchema#string

Michael McGovern

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P2860

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Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.

Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods

Escaping free-energy minima.

Local elevation: a method for improving the searching properties of molecular dynamics simulation.

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

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044101

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scholarly article

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10.1063/1.4927147

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English

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143

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Lucas Antony

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2015-07-01T00:00:00Z

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280613406

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Sculpting bespoke mountains: Determining free energies with basis expansions.

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P2860

P2860

Sculpting bespoke mountains: Determining free energies with basis expansions.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698