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Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1a.

E. Deplazes, J. Davies, A. Bonvin, G. King, and A. Mark. Journal of Chemical Information and Modeling, 56 (1): 127-138 (2016)

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Mark Alan Epstein

Mark E Villiger

Mark E Secan

Mark E Biddle

Safwat Alani

Other publications of authors with the same name

Decomposition of the Free Energy of a System in Terms of Specific Interactions: Implications for Theoretical and Experimental StudiesA. Mark, and W. van Gunsteren. Journal of Molecular Biology, 240 (2): 167 - 176 (1994)Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsin.A. Villa, R. Zangi, G. Pieffet, and A. Mark. J. Comput. Aided Mol. Des., 17 (10): 673-686 (2003)An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes.P. Gerber, A. Mark, and W. van Gunsteren. J. Comput. Aided Mol. Des., 7 (3): 305-323 (1993)A new force field for simulating phosphatidylcholine bilayers.D. Poger, W. van Gunsteren, and A. Mark. J. Comput. Chem., 31 (6): 1117-1125 (2010)Calculation of the free energy of solvation for neutral analogs of amino acid side chains.A. Villa, and A. Mark. J. Comput. Chem., 23 (5): 548-553 (2002)Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1a.E. Deplazes, J. Davies, A. Bonvin, G. King, and A. Mark. Journal of Chemical Information and Modeling, 56 (1): 127-138 (2016)Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes.A. Malde, and A. Mark. J. Comput. Aided Mol. Des., 25 (1): 1-12 (2011)Identification of Possible Binding Sites for Morphine and Nicardipine on the Multidrug Transporter P-Glycoprotein Using Umbrella Sampling Techniques.N. Subramanian, K. Condic-Jurkic, A. Mark, and M. O'Mara. J. Chem. Inf. Model., 55 (6): 1202-1217 (2015)On the validity of Stokes' law at the molecular levelR. Walser, A. Mark, and W. van Gunsteren. Chemical Physics Letters, 303 (5-6): 583 - 586 (1999)A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.C. Oostenbrink, A. Villa, A. Mark, and W. van Gunsteren. J. Comput. Chem., 25 (13): 1656-1676 (2004)

BibSonomy

Disambiguation of "Mark, Alan E."