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Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules., , , и . Comput. Phys. Commun., (2018)Parallel Implementation of a Monte Carlo Molecular Simulation Program., , и . J. Chem. Inf. Comput. Sci., 40 (3): 588-592 (2000)MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors., , , , , , , и . J. Chem. Inf. Model., 59 (1): 86-97 (2019)Mr. Silva and Patient Zero: A Medical Social Network and Data Visualization Information System., , , и . POCUS/BIVPCS/CuRIOUS/CPM@MICCAI, том 11042 из Lecture Notes in Computer Science, стр. 111-117. Springer, (2018)Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family., , , , , , , , , и . J. Chem. Inf. Model., 60 (8): 3969-3984 (2020)Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels., , , и . J. Chem. Inf. Model., 54 (12): 3330-3343 (2014)Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach., , , , , , и . Comput. Biol. Medicine, (2024)