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Carlos Simmerling

Researcher Next ID · RN-013552

Researcher · Biochemistry, Genetics and Molecular Biology

National Research University Higher School of Economics

, Russia

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Not currently recruitingFunding unknown
Works count
171
Citation count
41,252
H-index
52
i10-index
107

Research interests

Biochemistry, Genetics and Molecular Biology
Materials Science
Medicine
Protein Structure and Dynamics
Enzyme Structure and Function
DNA and Nucleic Acid Chemistry
RNA and protein synthesis mechanisms
SARS-CoV-2 and COVID-19 Research

Publications

  • AmberTools

    Journal of Chemical Information and Modeling · 2023 · 10.1021/acs.jcim.3c01153

  • ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution

    Journal of Chemical Theory and Computation · 2019 · 10.1021/acs.jctc.9b00591

  • ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

    Journal of Chemical Theory and Computation · 2015 · 10.1021/acs.jctc.5b00255

  • Comparison of multiple Amber force fields and development of improved protein backbone parameters

    Proteins Structure Function and Bioinformatics · 2006 · 10.1002/prot.21123

  • The Amber biomolecular simulation programs

    Journal of Computational Chemistry · 2005 · 10.1002/jcc.20290

Current projects

    No projects listed.