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Disambiguation of "Lyubartsev, Alexander"

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To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC.

, , and . J. Comput. Chem., 42 (11): 787-792 (2021)

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Alexander

Alexander Stadler

Messtechnische Bestimmung und Simulation der Kernverluste in weichmagnetischen Materialien. Uni Erlangen-Nürnberg, (2009)

Alexander Auch

A phylogenetic potpourri: computational methods for analysing genome scale data. Uni Tübingen, (2010)

Alexander Blecken

A reference task model for supply chain processes of humanitarian organisations. Uni Paderborn, (2009)

Alexander Gocht

Methods in economic farm modelling. Uni Bonn, (2009)
 

Other publications of authors with the same name

Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at Solid-Liquid Interfaces: Tight-Binding Assessment of Charged Amino Acids on TiO2 Anatase (101)., , and . Comput., 8 (1): 12 (2020)Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulations., , , and . J. Comput. Aided Mol. Des., 29 (1): 13-21 (2015)Spatial Distribution Functions As a Tool in the Analysis of Ribonucleic Acids Hydration - Molecular Dynamics Studies., , , , and . Comput. Chem., 24 (3-4): 451-457 (2000)Parallel Molecular Dynamics Simulations of Biomolecular Systems., and . PARA, volume 1541 of Lecture Notes in Computer Science, page 296-303. Springer, (1998)Magic v.3: An integrated software package for systematic structure-based coarse-graining., , and . Comput. Phys. Commun., (2019)Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids., and . J. Comput. Chem., 35 (16): 1208-1218 (2014)Modification of the CHARMM force field for DMPC lipid bilayer., , and . J. Comput. Chem., 29 (14): 2359-2369 (2008)To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC., , and . J. Comput. Chem., 42 (11): 787-792 (2021)Partial atomic charges and their impact on the free energy of solvation., , , and . J. Comput. Chem., 34 (3): 187-197 (2013)New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures., and . J. Comput. Chem., 28 (12): 2020-2026 (2007)