PathOpt--a global transition state search approach: outline of algorithm.

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An automated method to find transition states using chemical dynamics simulations.CAST: a new program package for the accurate characterization of large and flexible molecular systems.

P2860

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PathOpt--a global transition state search approach: outline of algorithm.

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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2013年学术文章

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2013年学术文章

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PathOpt--a global transition state search approach: outline of algorithm.

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PathOpt--a global transition state search approach: outline of algorithm.

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PathOpt--a global transition state search approach: outline of algorithm.

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PathOpt--a global transition state search approach: outline of algorithm.

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PathOpt--a global transition state search approach: outline of algorithm.

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PathOpt--a global transition state search approach: outline of algorithm.

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P1476

PathOpt--a global transition state search approach: outline of algorithm.

@en

P2093

Bernd Engels

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

Christoph Grebner

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

Lukas P Pason

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

P2860

Predicting slow structural transitions in macromolecular systems: Conformational flooding

The energy landscape, folding pathways and the kinetics of a knotted protein

VMD: visual molecular dynamics

A growing string method for determining transition states: comparison to the nudged elastic band and string methods

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

Global optimization of clusters, crystals, and biomolecules.

Instantaneous normal modes as an unforced reaction coordinate for protein conformational transitions

Transition path sampling: throwing ropes over rough mountain passes, in the dark.

Escaping free-energy minima.

A New Tabu-Search-Based Algorithm for Solvation of Proteins.

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1810-1818

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

P31

scholarly article

P356

10.1002/JCC.23307

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

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P478

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

P577

2013-05-04T00:00:00Z

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P698

23649966

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PathOpt--a global transition state search approach: outline of algorithm.

about

P2860

P2860

PathOpt--a global transition state search approach: outline of algorithm.

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P2860

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