In Silico Drug Discovery and Design
Latest Publications

TOTAL DOCUMENTS

18

(FIVE YEARS 0)

H-INDEX

3

(FIVE YEARS 0)

Published By CRC Press

9781351228534

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

- Molecular Mechanics/Coarse-Grained Simulations as a Structural Prediction Tool for GPCRs/Ligand Complexes

In Silico Drug Discovery and Design ◽

10.1201/b18799-19 ◽

2015 ◽

pp. 354-369 ◽

Keyword(s):

Molecular Mechanics ◽

Coarse Grained ◽

Prediction Tool ◽

Structural Prediction ◽

Coarse Grained Simulations

Download Full-text

- MM-GB/SA Rescoring of Docking Poses: Tricks of the Trade

In Silico Drug Discovery and Design ◽

10.1201/b18799-17 ◽

2015 ◽

pp. 310-329

Download Full-text

- Pharmacophore Modeling and Pharmacophore-Based Virtual Screening

In Silico Drug Discovery and Design ◽

10.1201/b18799-10 ◽

2015 ◽

pp. 140-171 ◽

Keyword(s):

Virtual Screening ◽

Pharmacophore Modeling

Download Full-text

- Library Design, Chemical Space, and Drug Likeness

In Silico Drug Discovery and Design ◽

10.1201/b18799-8 ◽

2015 ◽

pp. 96-115 ◽

Keyword(s):

Chemical Space ◽

Download Full-text

- Force-Field Representation of Biomolecular Systems

In Silico Drug Discovery and Design ◽

10.1201/b18799-7 ◽

2015 ◽

pp. 62-95 ◽

Keyword(s):

Force Field ◽

Biomolecular Systems ◽

Field Representation

Download Full-text

- Role of Water Molecules and Hydration Properties in Modeling Ligand–Protein Interaction and Drug Design

In Silico Drug Discovery and Design ◽

10.1201/b18799-22 ◽

2015 ◽

pp. 410-427 ◽

Keyword(s):

Drug Design ◽

Protein Interaction ◽

Water Molecules ◽

Hydration Properties

Download Full-text

- Ligand-Based Drug Discovery and Design

In Silico Drug Discovery and Design ◽

10.1201/b18799-9 ◽

2015 ◽

pp. 116-139 ◽

Keyword(s):

Download Full-text

- Protein–Ligand Docking: From Basic Principles to Advanced Applications

In Silico Drug Discovery and Design ◽

10.1201/b18799-11 ◽

2015 ◽

pp. 172-205 ◽

Keyword(s):

Ligand Docking ◽

Basic Principles ◽

Advanced Applications

Download Full-text

- How Protein Flexibility Can Influence Docking/Scoring Simulations

In Silico Drug Discovery and Design ◽

10.1201/b18799-23 ◽

2015 ◽

pp. 428-457

Keyword(s):

Protein Flexibility

Download Full-text

- Protein–Ligand Docking: Virtual Screening and Applications to Drug Discovery

In Silico Drug Discovery and Design ◽

10.1201/b18799-12 ◽

2015 ◽

pp. 206-231

Keyword(s):

Drug Discovery ◽

Virtual Screening ◽

Download Full-text