1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems
2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment
3 Formation of DNA Lesions, Its Prevention and Repair
4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design
5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings
6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules
7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design
8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies
10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling
11 Computational Toxicology in Drug Discovery: opportunities and limitations
12 Consensus Drug Design Using it Microcosm
13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling
14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure
15 (How to) Profit from Molecular Dynamics-based Ensemble Docking
16 Cheminformatics on Crossroad of Eras.