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Frontiers in Computational Chemistry [2015]

1
Computational Strategies to Incorporate GPCR Complexity in Drug Design
1
The Use of Dedicated Processors to Accelerate the Identification of Novel Antibacterial Peptides
2
Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage
2
Knowledge-Based Drug Repurposing: A Rational Approach Towards the Identification of Novel Medical Applications of Known Drugs
3
How to Judge Predictive Quality of Classification and Regression Based QSAR Models?
3
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
4
Density Functional Studies of Bis-alkylating Nitrogen Mustards
4
Recent Advances in the Discovery and Development of Protein- Protein Interaction Modulators by Virtual Screening
5
Computational Design of Biological Systems: From Systems to Synthetic Biology
5
From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods
6
Considering the Medium when Studying Biologically Active Molecules: Motivation, Options and Challenges
6
Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity
7
A Novel Coarse-Grained Description of Protein Structure and Folding by UNRES Force Field and Discrete Nonlinear Schrödinger Equation
7
First Principles Computational Biochemistry with deMon2k
8
Computational Chemistry Strategies Tackling Function and Inhibition of Pharmaceutically Relevant Targets
8
Recent Advances in Computational Simulations of Lipid Bilayer Based Molecular Systems
9
Data Quality Assurance and Statistical Analysis of High Throughput Screenings for Drug Discovery
9
Subject Index
10
Subject Index
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