Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics.

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A Blind Test of Computational Technique for Predicting the Likelihood of Peptide Sequences to Cyclize.Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching.

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Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics.

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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年學術文章

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name

Adaptive free energy sampling ...... sing boxed molecular dynamics.

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Adaptive free energy sampling ...... sing boxed molecular dynamics.

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label

Adaptive free energy sampling ...... sing boxed molecular dynamics.

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Adaptive free energy sampling ...... sing boxed molecular dynamics.

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Adaptive free energy sampling ...... sing boxed molecular dynamics.

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Adaptive free energy sampling ...... sing boxed molecular dynamics.

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2-s2.0-85009088614

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Faraday Discussions

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Adaptive free energy sampling ...... sing boxed molecular dynamics.

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David R Glowacki

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Mike O'Connor

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P2860

CHARMM: the biomolecular simulation program

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Robust proofs of NP-hardness for protein folding: general lattices and energy potentials.

Taking Ockham's razor to enzyme dynamics and catalysis.

Protein folding in the hydrophobic-hydrophilic (HP) model is NP-complete.

The adaptive biasing force method: everything you always wanted to know but were afraid to ask

Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics

Reaction dynamics. Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents.

Fully Atomistic Simulations of Protein Unfolding in Low Speed Atomic Force Microscope and Force Clamp Experiments with the Help of Boxed Molecular Dynamics.

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395-419

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scholarly article

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10.1039/C6FD00138F

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195

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Emanuele Paci

Simon McIntosh-Smith

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2016-10-14T00:00:00Z

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2468590848

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27738687

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106180/

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