Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations.

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Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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Conformational analysis of sho ...... sampling and DFT calculations.

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Conformational analysis of sho ...... sampling and DFT calculations.

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Conformational analysis of sho ...... sampling and DFT calculations.

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Conformational analysis of sho ...... sampling and DFT calculations.

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Conformational analysis of sho ...... sampling and DFT calculations.

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Conformational analysis of sho ...... sampling and DFT calculations.

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P1476

Conformational analysis of sho ...... sampling and DFT calculations.

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P2093

Victor L Cruz

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P2860

Density-functional thermochemistry. III. The role of exact exchange

Local order in the unfolded state: conformational biases and nearest neighbor interactions

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

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

Polyproline-II helix in proteins: structure and function.

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

Interplay of hydrogen bonds and n→π* interactions in proteins

Statistically optimal analysis of samples from multiple equilibrium states.

Are current molecular dynamics force fields too helical?

The intrinsic conformational propensities of the 20 naturally occurring amino acids and reflection of these propensities in proteins.

P2888

s00894-016-3139-1

P304

273

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scholarly article

P356

10.1007/S00894-016-3139-1

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P433

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

P478

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

P50

Javier Ramos

P577

2016-10-26T00:00:00Z

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P698

27783230

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