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Disambiguation of "Simmerling, Carlos"

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Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins.

, , , and . J. Comput. Chem., 24 (1): 21-31 (2003)

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Carlos Briede

Carlos Rodríguez

Carlos Schleipen

Carlos Strunz

Carlos Köhler

 

Other publications of authors with the same name

Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins., , , and . J. Comput. Chem., 24 (1): 21-31 (2003)Blinded prediction of protein-ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4., , and . J. Comput. Aided Mol. Des., 33 (12): 1021-1029 (2019)A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA, , , , , , , , and . ACS Chemical Biology, 9 (4): 986-993 (2014)PMID: 24527857.Laguerre-Intersection Method for Implicit Solvation., , , and . Int. J. Comput. Geom. Appl., 28 (1): 1-38 (2018)Characterization of Biomolecular Helices and Their Complementarity Using Geometric Analysis., , , , and . J. Chem. Inf. Model., 57 (4): 864-874 (2017)MOIL: A program for simulations of macromolecules, , , , , , , , and . Computer Physics Communications, 91 (1): 159 - 189 (1995)Laguerre-Intersection Method for Implicit Solvation., , , and . CoRR, (2017)The Amber biomolecular simulation programs., , , , , , , , , and . J. Comput. Chem., 26 (16): 1668-1688 (2005)AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics., , , , , , , , , and 19 other author(s). Int. J. High Perform. Comput. Appl., (2021)SpikeScape: A Tool for Analyzing Structural Diversity in Experimental Structures of the SARS-CoV-2 Spike Glycoprotein., , and . J. Chem. Inf. Model., 63 (4): 1087-1092 (February 2023)