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Frontiers in Computational Chemistry [2015]
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Computational Strategies to Incorporate GPCR Complexity in Drug Design
- 1
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The Use of Dedicated Processors to Accelerate the Identification of Novel Antibacterial Peptides
- 2
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Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage
- 2
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Knowledge-Based Drug Repurposing: A Rational Approach Towards the Identification of Novel Medical Applications of Known Drugs
- 3
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How to Judge Predictive Quality of Classification and Regression Based QSAR Models?
- 3
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Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
- 4
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Density Functional Studies of Bis-alkylating Nitrogen Mustards
- 4
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Recent Advances in the Discovery and Development of Protein- Protein Interaction Modulators by Virtual Screening
- 5
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Computational Design of Biological Systems: From Systems to Synthetic Biology
- 5
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From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods
- 6
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Considering the Medium when Studying Biologically Active Molecules: Motivation, Options and Challenges
- 6
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Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity
- 7
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A Novel Coarse-Grained Description of Protein Structure and Folding by UNRES Force Field and Discrete Nonlinear Schrödinger Equation
- 7
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First Principles Computational Biochemistry with deMon2k
- 8
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Computational Chemistry Strategies Tackling Function and Inhibition of Pharmaceutically Relevant Targets
- 8
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Recent Advances in Computational Simulations of Lipid Bilayer Based Molecular Systems
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Data Quality Assurance and Statistical Analysis of High Throughput Screenings for Drug Discovery
- 9
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Subject Index
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Subject Index