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1-7 of 7 results for implicit solvent

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Select article: Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

Free access

Research article

First published 2015-7

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

Mohammad Khavani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

Select article: Specific Solvation Effects on the Formation of Urea Anion in Alkaline Solution

Free access

Research article

First published 2014-6

Specific Solvation Effects on the Formation of Urea Anion in Alkaline Solution

Taohong Li, Hui Wang, Jiankun Liang [...]

Progress in Reaction Kinetics and Mechanism

Select article: Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Free access

Research article

First published 2005-10

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson

Journal of Biomolecular Screening

Select article: Comparison between Molecular Dynamic Based and Knowledge Based Potentials for Protein Side Chains

Retricted access

Research article

First published 2010-07

Comparison between Molecular Dynamic Based and Knowledge Based Potentials for Protein Side Chains

Marcos R. Betancourt

Journal of Computational Biology

Select article: Mechanism of the Water-Catalysed Addition between Melamine and Formaldehyde: A Theoretical Investigation

Free access

Research article

First published 2014-6

Mechanism of the Water-Catalysed Addition between Melamine and Formaldehyde: A Theoretical Investigation

Taohong Li, Xiaoguang Xie, Guanben Du

Progress in Reaction Kinetics and Mechanism

Select article: Synthesis,spectral analysis,and theoretical investigations of diphenyl fumarate

Open access

Research article

First published 2022-5

Synthesis,spectral analysis,and theoretical investigations of diphenyl fumarate

Mingxue You, Weiqian Liao, Genlai Zhou [...]

Journal of Chemical Research

Select article: Protein Adsorption on Biomaterial and Nanomaterial Surfaces: A Molecular Modeling Approach to Study Non-Covalent Interactions

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Review article

First published 2010-9

Protein Adsorption on Biomaterial and Nanomaterial Surfaces: A Molecular Modeling Approach to Study Non-Covalent Interactions

Giuseppina Raffaini, Fabio Ganazzoli

Journal of Applied Biomaterials & Functional Materials

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