Handbook of Computational Chemistry
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Published By Springer Netherlands

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Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Chemoinformatics Methods for Studying Biomolecules

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_56-1 ◽

2016 ◽

pp. 1-17

Author(s):

Adam Liwo ◽

Cezary Czaplewski ◽

Stanisław Ołdziej ◽

Bartłomiej Zaborowski ◽

Dawid Jagieła ◽

...

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Predicting ADME Properties of Chemicals

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_59-1 ◽

2016 ◽

pp. 1-37 ◽

Cited By ~ 1

Author(s):

Hyun Kil Shin ◽

Young-Mook Kang ◽

Kyoung Tai No

Keyword(s):

Adme Properties

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Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_22-2 ◽

2016 ◽

pp. 1-84

Author(s):

Tandabany C. Dinadayalane ◽

Jerzy Leszczynski

Keyword(s):

Carbon Nanotubes ◽

Carbon Nanostructures ◽

Chemical Properties ◽

And Chemical Properties

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Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_39-2 ◽

2016 ◽

pp. 1-52

Author(s):

Igor Schapiro ◽

Patrick Zakhia El-Khoury ◽

Massimo Olivucci

Keyword(s):

Ab Initio ◽

Reaction Mechanisms ◽

Photochemical Reaction ◽

Complex Environments ◽

Isolated Molecules

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Application of Quantum Mechanics and Molecular Mechanics in Chemoinformatics

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_52-1 ◽

2016 ◽

pp. 1-23 ◽

Cited By ~ 3

Author(s):

Natalia Sizochenko ◽

D. Majumdar ◽

Szczepan Roszak ◽

Jerzy Leszczynski

Keyword(s):

Quantum Mechanics ◽

Molecular Mechanics

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Open Source Chemoinformatics Software including KNIME Analytics Platform

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_57-2 ◽

2016 ◽

pp. 1-30

Author(s):

Georgios Leonis ◽

Georgia Melagraki ◽

Antreas Afantitis

Keyword(s):

Open Source

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Molecular Descriptors

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_51-1 ◽

2016 ◽

pp. 1-29 ◽

Cited By ~ 5

Author(s):

Andrea Mauri ◽

Viviana Consonni ◽

Roberto Todeschini

Keyword(s):

Molecular Descriptors

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Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_36-2 ◽

2016 ◽

pp. 1-48

Author(s):

Jaroslav V. Burda ◽

Filip Šebesta

Keyword(s):

Computational Approach ◽

Base Pairs ◽

Metal Interactions

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Applications of Computational Methods to Simulations of Protein Dynamics

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_31-2 ◽

2016 ◽

pp. 1-43

Author(s):

Wieslaw Nowak

Keyword(s):

Protein Dynamics ◽

Computational Methods

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Quantitative Structure–Activity Relationships of Antimicrobial Compounds

Handbook of Computational Chemistry ◽

10.1007/978-94-007-6169-8_38-2 ◽

2016 ◽

pp. 1-17

Author(s):

F. P. Maguna ◽

N. B. Okulik ◽

Eduardo A. Castro

Keyword(s):

Antimicrobial Compounds ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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