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KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding.

, , , and . J. Chem. Inf. Model., 59 (9): 3630-3634 (2019)

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ProSAT2 - Protein Structure Annotation Server., , , and . Nucleic Acids Res., 34 (Web-Server-Issue): 79-83 (2006)Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy., and . J. Comput. Chem., 18 (4): 449-462 (1997)Kinetics for Drug Discovery: an industry-driven effort to target drug residence time, , , , , , , , , and 16 other author(s). Drug Discovery Today, 22 (6): 896 - 911 (2017)Druggability Assessment in TRAPP Using Machine Learning Approaches., , , , and . J. Chem. Inf. Model., 60 (3): 1685-1699 (2020)Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis., , and . J. Chem. Inf. Model., 61 (7): 3708-3721 (2021)Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program, , , , , , , , , and 1 other author(s). Comput. Phys. Commun., 91 (1-3): 57--95 (September 1995)Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations., , , , , and . J. Comput. Aided Mol. Des., 17 (5-6): 299-311 (2003)DSMM: a Database of Simulated Molecular Motions., , , , and . Nucleic Acids Res., 31 (1): 456-457 (2003)webPIPSA: a web server for the comparison of protein interaction properties., , , , and . Nucleic Acids Res., 36 (Web-Server-Issue): 276-280 (2008)ProSAT: functional annotation of protein 3D structures., , , and . Bioinform., 19 (13): 1723-1725 (2003)