Quantum Simulations of Materials and Biological Systems
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Published By Springer Netherlands

9789400749474, 9789400749481

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Integration of Ligand-Based and Structure-Based Approaches for Virtual Screening of Factor Xa Inhibitors

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_8 ◽

2012 ◽

pp. 141-154

Author(s):

Xue-Gang Yang ◽

Duan Chen ◽

Ying Xue

Keyword(s):

Virtual Screening ◽

Factor Xa ◽

Factor Xa Inhibitors

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Modeling Silicon Nanostructure Surface Functionalization for Biological Detections

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_3 ◽

2012 ◽

pp. 33-51

Author(s):

Rui-Qin Zhang ◽

Abir De Sarkar

Keyword(s):

Surface Functionalization ◽

Silicon Nanostructure ◽

Nanostructure Surface

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A Computational Perspective on the Photochemistry of Photosensory Proteins: Phytochromes and Anabaena Sensory Rhodopsin

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_10 ◽

2012 ◽

pp. 169-194

Author(s):

Bo Durbeej

Keyword(s):

Sensory Rhodopsin ◽

Computational Perspective

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Graphene Oxide: Theoretical Perspectives

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_5 ◽

2012 ◽

pp. 69-84 ◽

Cited By ~ 5

Author(s):

Ning Lu ◽

Zhenyu Li

Keyword(s):

Graphene Oxide ◽

Theoretical Perspectives

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First Steps Towards Quantum Refinement of Protein X-Ray Structures

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_6 ◽

2012 ◽

pp. 87-120 ◽

Cited By ~ 4

Author(s):

Lars Goerigk ◽

Olle Falklöf ◽

Charles A. Collyer ◽

Jeffrey R. Reimers

Keyword(s):

X Ray ◽

Protein X

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QM/MD Simulations of High-Temperature SWCNT Self-capping

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_4 ◽

2012 ◽

pp. 53-68

Author(s):

Hironori Hara ◽

Yoshio Kato ◽

Genki Ichinose ◽

Stephan Irle

Keyword(s):

High Temperature ◽

Md Simulations

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Towards a Greater Accuracy in DFT Calculations: From GGA to Hybrid Functionals

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_1 ◽

2012 ◽

pp. 3-15

Author(s):

Jessica Hermet ◽

Carlo Adamo ◽

Pietro Cortona

Keyword(s):

Dft Calculations ◽

Hybrid Functionals

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The Inverse Protein Folding Problem: Protein Design and Structure Prediction in the Genomic Era

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_7 ◽

2012 ◽

pp. 121-140 ◽

Cited By ~ 1

Author(s):

Marcel Schmidt am Busch ◽

Anne Lopes ◽

David Mignon ◽

Thomas Gaillard ◽

Thomas Simonson

Keyword(s):

Protein Folding ◽

Protein Design ◽

Structure Prediction ◽

Inverse Protein Folding

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Quantum Transport Simulations Based on Time Dependent Density Functional Theory

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_2 ◽

2012 ◽

pp. 17-32 ◽

Cited By ~ 1

Author(s):

Thomas A. Niehaus ◽

GuanHua Chen

Keyword(s):

Density Functional Theory ◽

Quantum Transport ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Principles and Applications of Hybrid Quantum Mechanical and Molecular Mechanical Methods

Quantum Simulations of Materials and Biological Systems ◽

10.1007/978-94-007-4948-1_9 ◽

2012 ◽

pp. 155-168

Author(s):

Dingguo Xu ◽

Min Zheng ◽

Shanshan Wu

Keyword(s):

Quantum Mechanical ◽

Mechanical Methods

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Quantum Simulations of Materials and Biological SystemsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Integration of Ligand-Based and Structure-Based Approaches for Virtual Screening of Factor Xa Inhibitors

Modeling Silicon Nanostructure Surface Functionalization for Biological Detections

A Computational Perspective on the Photochemistry of Photosensory Proteins: Phytochromes and Anabaena Sensory Rhodopsin

Graphene Oxide: Theoretical Perspectives

First Steps Towards Quantum Refinement of Protein X-Ray Structures

QM/MD Simulations of High-Temperature SWCNT Self-capping

Towards a Greater Accuracy in DFT Calculations: From GGA to Hybrid Functionals

The Inverse Protein Folding Problem: Protein Design and Structure Prediction in the Genomic Era

Quantum Transport Simulations Based on Time Dependent Density Functional Theory

Principles and Applications of Hybrid Quantum Mechanical and Molecular Mechanical Methods

Quantum Simulations of Materials and Biological Systems
Latest Publications