Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications
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Published By Springer Berlin Heidelberg

9783540437567, 9783642560804

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Structure Calculation of Protein Segments Connecting Domains with Defined Secondary Structure: A Simulated Annealing Monte Carlo Combined with Biased Scaled Collective Variables Technique

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_9 ◽

2002 ◽

pp. 197-231 ◽

Cited By ~ 8

Author(s):

Sergio A. Hassan ◽

Ernest L. Mehler ◽

Harel Weinstein

Keyword(s):

Monte Carlo ◽

Simulated Annealing ◽

Secondary Structure ◽

Structure Calculation ◽

Collective Variables

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Internal Coordinate Molecular Dynamics Based on the Spectroscopic B-Matrix

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_5 ◽

2002 ◽

pp. 104-128

Author(s):

Sang-Ho Lee ◽

Kim Palmo ◽

Samuel Krimm

Keyword(s):

Molecular Dynamics

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Structural and Dynamical Characterization of Nucleic Acid Water and Ion Binding Sites

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_3 ◽

2002 ◽

pp. 61-70 ◽

Cited By ~ 2

Author(s):

Pascal Auffinger ◽

Benoit Masquida ◽

Eric Westhof

Keyword(s):

Nucleic Acid ◽

Binding Sites ◽

Acid Water ◽

Ion Binding ◽

Ion Binding Sites

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Mathematics and Molecular Neurobiology

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_2 ◽

2002 ◽

pp. 31-60

Author(s):

Nathan A. Baker ◽

Kaihsu Tai ◽

Richard Henchman ◽

David Sept ◽

Adrian Elcock ◽

...

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Methods for Macromolecular Modeling (M3): Assessment of Progress and Future Perspectives

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_1 ◽

2002 ◽

pp. 3-27

Author(s):

Hin Hark Gan ◽

Tamar Schlick

Keyword(s):

Future Perspectives ◽

Macromolecular Modeling

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Fold Recognition using the OPLS All-Atom Potential and the Surface Generalized Born Solvent Model

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_18 ◽

2002 ◽

pp. 445-476

Author(s):

Anthony K. Felts ◽

Anders Wallqvist ◽

Emilio Gallicchio ◽

Donna Bassolino ◽

Stanley R. Krystek ◽

...

Keyword(s):

Fold Recognition ◽

Generalized Born ◽

Solvent Model ◽

Atom Potential

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On the Potential of Monte Carlo Methods for Simulating Macromolecular Assemblies

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_8 ◽

2002 ◽

pp. 177-196

Author(s):

Mihaly Mezei

Keyword(s):

Monte Carlo ◽

Monte Carlo Methods ◽

Macromolecular Assemblies

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Overcoming Instabilities in Verlet-I/r-RESPA with the Mollified Impulse Method

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_7 ◽

2002 ◽

pp. 146-174 ◽

Cited By ~ 5

Author(s):

Jesús A. Izaguirre ◽

Qun Ma ◽

Thierry Matthey ◽

Jeremiah Willcock ◽

Thomas Slabach ◽

...

Keyword(s):

Impulse Method

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Equilibrium and Nonequilibrium Foundations of Free Energy Computational Methods

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_12 ◽

2002 ◽

pp. 287-303 ◽

Cited By ~ 1

Author(s):

C. Jarzynski

Keyword(s):

Free Energy ◽

Computational Methods

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A Test Set for Molecular Dynamics Algorithms

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications ◽

10.1007/978-3-642-56080-4_4 ◽

2002 ◽

pp. 73-103 ◽

Cited By ~ 3

Author(s):

Eric Barth ◽

Benedict Leimkuhler ◽

Sebastian Reich

Keyword(s):

Molecular Dynamics ◽

Test Set

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Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and ApplicationsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

Structure Calculation of Protein Segments Connecting Domains with Defined Secondary Structure: A Simulated Annealing Monte Carlo Combined with Biased Scaled Collective Variables Technique

Internal Coordinate Molecular Dynamics Based on the Spectroscopic B-Matrix

Structural and Dynamical Characterization of Nucleic Acid Water and Ion Binding Sites

Mathematics and Molecular Neurobiology

Methods for Macromolecular Modeling (M3): Assessment of Progress and Future Perspectives

Fold Recognition using the OPLS All-Atom Potential and the Surface Generalized Born Solvent Model

On the Potential of Monte Carlo Methods for Simulating Macromolecular Assemblies

Overcoming Instabilities in Verlet-I/r-RESPA with the Mollified Impulse Method

Equilibrium and Nonequilibrium Foundations of Free Energy Computational Methods

A Test Set for Molecular Dynamics Algorithms

Lecture Notes in Computational Science and Engineering - Computational Methods for Macromolecules: Challenges and Applications
Latest Publications