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1-7 of 7 results for implicit solvent

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Free accessResearch articleFirst published July, 2015

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

Free accessResearch articleFirst published June, 2014

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

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

Progress in Reaction Kinetics and Mechanism

Free accessResearch articleFirst published October, 2005

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

Restricted accessResearch articleFirst published July, 2010

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

Marcos R. Betancourt

Journal of Computational Biology

Free accessResearch articleFirst published June, 2014

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

Free accessReview articleFirst published September, 2010

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

Open accessResearch articleFirst published May, 2022

Synthesis,spectral analysis,and theoretical investigations of diphenyl fumarate

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

Journal of Chemical Research

Search results

Articles (7)

Journals (0)

1-7 of 7 results for implicit solvent

Sort by:

Relevance

Select all

Sort by:

Relevance

Free accessResearch articleFirst published July, 2015

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

Free accessResearch articleFirst published June, 2014

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

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

Progress in Reaction Kinetics and Mechanism

Free accessResearch articleFirst published October, 2005

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

Restricted accessResearch articleFirst published July, 2010

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

Marcos R. Betancourt

Journal of Computational Biology

Free accessResearch articleFirst published June, 2014

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

Free accessReview articleFirst published September, 2010

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

Open accessResearch articleFirst published May, 2022

Synthesis,spectral analysis,and theoretical investigations of diphenyl fumarate

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

Journal of Chemical Research