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Alexander D Mackerell

Showing results (81-90 of 402) with videos related to

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Journal of Chemical Theory and Computation|November 13, 2024
Revised 4-Point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJXiaojing Teng, Wenbo Yu, Alexander D MacKerell
The Journal of Physical Chemistry. B|July 20, 2024
Enhancing SILCS-MC via GPU Acceleration and Ligand Conformational Optimization with Genetic and Parallel Tempering AlgorithmsMingtian Zhao, Wenbo Yu, Alexander D MacKerell
Journal of Computational Chemistry|May 30, 2012
Balancing target flexibility and target denaturation in computational fragment-based inhibitor discoveryTheresa J Foster, Alexander D MacKerell, Olgun Guvench
Journal of the American Chemical Society|January 22, 2004
Improved treatment of the protein backbone in empirical force fieldsAlexander D MacKerell, Michael Feig, Charles L Brooks
Journal of Computational Chemistry|April 2, 2002
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compoundsI Jen Chen, Daxu Yin, Alexander D MacKerell
Journal of the American Chemical Society|January 10, 2002
Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical propertiesScott E Feller, Klaus Gawrisch, Alexander D MacKerell
Proceedings of the National Academy of Sciences of the United States of America|December 31, 2002
Protein-facilitated base flipping in DNA by cytosine-5-methyltransferaseNiu Huang, Nilesh K Banavali, Alexander D MacKerell
Carbohydrate Research|March 1, 2019
Impact of branching on the conformational heterogeneity of the lipopolysaccharide from Klebsiella pneumoniae: Implications for vaccine designAsaminew H Aytenfisu, Raphael Simon, Alexander D MacKerell
Nucleic Acids Research|July 29, 2005
Cooperative binding of DNA and CBFbeta to the Runt domain of the CBFalpha studied via MD simulationsBahru Habtemariam, Victor M Anisimov, Alexander D MacKerell
Biochemistry|February 3, 2005
Conformational determinants of tandem GU mismatches in RNA: insights from molecular dynamics simulations and quantum mechanical calculationsYongping Pan, U Deva Priyakumar, Alexander D MacKerell
Pageof 41

Showing results (81-90 of 402) with videos related to

Sort By:
Pageof 41
Journal of Chemical Theory and Computation|November 13, 2024
Revised 4-Point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJXiaojing Teng, Wenbo Yu, Alexander D MacKerell
The Journal of Physical Chemistry. B|July 20, 2024
Enhancing SILCS-MC via GPU Acceleration and Ligand Conformational Optimization with Genetic and Parallel Tempering AlgorithmsMingtian Zhao, Wenbo Yu, Alexander D MacKerell
Journal of Computational Chemistry|May 30, 2012
Balancing target flexibility and target denaturation in computational fragment-based inhibitor discoveryTheresa J Foster, Alexander D MacKerell, Olgun Guvench
Journal of the American Chemical Society|January 22, 2004
Improved treatment of the protein backbone in empirical force fieldsAlexander D MacKerell, Michael Feig, Charles L Brooks
Journal of Computational Chemistry|April 2, 2002
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compoundsI Jen Chen, Daxu Yin, Alexander D MacKerell
Journal of the American Chemical Society|January 10, 2002
Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical propertiesScott E Feller, Klaus Gawrisch, Alexander D MacKerell
Proceedings of the National Academy of Sciences of the United States of America|December 31, 2002
Protein-facilitated base flipping in DNA by cytosine-5-methyltransferaseNiu Huang, Nilesh K Banavali, Alexander D MacKerell
Carbohydrate Research|March 1, 2019
Impact of branching on the conformational heterogeneity of the lipopolysaccharide from Klebsiella pneumoniae: Implications for vaccine designAsaminew H Aytenfisu, Raphael Simon, Alexander D MacKerell
Nucleic Acids Research|July 29, 2005
Cooperative binding of DNA and CBFbeta to the Runt domain of the CBFalpha studied via MD simulationsBahru Habtemariam, Victor M Anisimov, Alexander D MacKerell
Biochemistry|February 3, 2005
Conformational determinants of tandem GU mismatches in RNA: insights from molecular dynamics simulations and quantum mechanical calculationsYongping Pan, U Deva Priyakumar, Alexander D MacKerell
Pageof 41