Concepedia

Binding of triazole-linked galactosyl arylsulfonamides to galectin-3 affects Trypanosoma cruzi cell invasion

Marcelo Fiori Marchiori, Thalita Bachelli Riul, Leandro Oliveira Bortot, Peterson de Andrade, Getúlio G. Junqueira, Giuseppina Focà, Nunzianna Doti, Marcelo Dias‐Baruffi, Ivone Carvalho, Vanessa Leiria Campo

Bioorganic & Medicinal Chemistry · 2017 · 18 citations · 38 references

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38

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

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GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

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Improved side‐chain torsion potentials for the Amber ff99SB protein force field

Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö et al. · Proteins Structure Function and Bioinformatics · 2010 · 6.3K citations · Full text

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Automatic atom type and bond type perception in molecular mechanical calculations

Junmei Wang, Wei Wang, Peter A. Kollman et al. · Journal of Molecular Graphics and Modelling · 2006 · 5.6K citations

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<i>MMPBSA.py</i>: An Efficient Program for End-State Free Energy Calculations

Bill R. Miller, T. Dwight McGee, Jason Swails et al. · Journal of Chemical Theory and Computation · 2012 · 4.5K citations

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