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Disambiguation of "McCammon, James Andrew"

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations.

, , , and . Nucleic Acids Res., 32 (Web-Server-Issue): 665-667 (2004)

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Andrew James Johnston

James Andrew Charles Smith

Michael James

Audrein James

Katherine James

 

Other publications of authors with the same name

Conformational Transitions of Proteins from Atomistic Simulations., and . Computational Molecular Dynamics, volume 4 of Lecture Notes in Computational Science and Engineering, Springer, (1999)Prediction of pKas of Titratable Residues in Proteins Using a Poisson-Boltzmann Model of the Solute-Solvent System., , , , , , and . Computational Molecular Dynamics, volume 4 of Lecture Notes in Computational Science and Engineering, Springer, (1999)Computing ionization states of proteins with a detailed charge model., , , , and . J. Comput. Chem., 17 (14): 1633-1644 (1996)AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems., , , and . Comput. Phys. Commun., 181 (6): 1150-1160 (2010)Browndye: A software package for Brownian dynamics., and . Comput. Phys. Commun., 181 (11): 1896-1905 (2010)Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems., , , , and . J. Comput. Chem., 26 (7): 668-681 (2005)Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening., , , and . J. Chem. Inf. Model., 51 (6): 1439-1446 (2011)Elucidation of Cryptic and Allosteric Pockets within the SARS-CoV-2 Main Protease., , and . J. Chem. Inf. Model., 61 (7): 3495-3501 (2021)Computer simulation study of the binding of an antiviral agent to a sensitive and a resistant human rhinovirus., and . J. Comput. Aided Mol. Des., 2 (4): 259-266 (1989)An improved relaxed complex scheme for receptor flexibility in computer-aided drug design., , and . J. Comput. Aided Mol. Des., 22 (9): 693-705 (2008)