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arieh documents
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Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions
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Synthesis of Poly-Aspartic Acid
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Computer simulation of protein folding
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Bicycle-pedal model for the first step in the vision process
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Why do Bedouins wear black robes in hot deserts?
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What about protein polarity?
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Why ion pair reversal by protein engineering is unlikely to succeed
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A complex beauty
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Exploring, Refining, and Validating the Paradynamics QM/MM Sampling
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Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks
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Kinetics of Repeat Propagation in the Microgene Polymerization Reaction
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Electrostatic Contribution to the Transition States Binding Free Energy Using Simplified Coarse Grained Model
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Reorganization Energy of the Initial Electron-Transfer Step in Photosynthetic Bacterial Reaction Centers
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The Effect of Protein Relaxation on Charge-Charge Interactions and Dielectric Constants of Proteins
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Computer Simulations of Enzyme Catalysis: Methods, Progress, and Insights
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Copper-poly-L-histidine complexes. II. Physicochemical properties
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On expansions in orthogonal polynomials
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Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
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Conformational Flexibility of Phosphate, Phosphonate, and Phosphorothioate Methyl Esters in Aqueous Solution
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Solvation Thermodynamics ||
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A surface constrained all-atom solvent model for effective simulations of polar solutions
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