Publications of Matthias Stein

Poster (64)

161.
Poster
Jameel, F.; Stein, M.: Mechanism and control of industrial multistage chemical reactions from renewable resources. Reaction mechanisms in catalysis: Faraday Discussion, virtual (2021)
162.
Poster
Stein, M.; Boz, E.: Accurate receptor-ligand binding free energies from QM conformational chemical space sampling. The 2021 ISQBP Presidents´s Meeting, virtual (2021)
163.
Poster
Stein, M.; Boz, E.: Accurate receptor-ligand binding free energies from fast QM conformational chemical space sampling. 723. WE-Heraeus-Seminar - Advanced Physical and Computational Techniques to Investigate Protein Dynamics , virtual (2021)
164.
Poster
Jameel, F.; Boz, E.; Stein, M.: Mechanisms and control of industial multistage chemical reactions from renewable resource. 2020 Virtual AIChE Annual Meeting, virtually (accepted)
165.
Poster
Melnikov, S.; Stein, M.: Thermodynamic and kinetic properties of novel alkanolamines for CO2 sequestration from molecular dynamics simulations. 55th Symposium Theoretical Chemistry, Rostock, Germany (2019)
166.
Poster
Schulze, E.; Stein, M.: Ensemble-based docking and uncertainties from MD refinement of weak binders: The case of bile acids and the Norovirus receptor domain. EUROPIN Summer School of Drug Design - Vienna, Vienna, Austria (2019)
167.
Poster
Schulze, E.; Stein, M.: Ensemble-based docking and uncertainties from MD refinement of weak binders: The case of bile acids and the Norovirus receptor domain. Computational Advances in Drug Discovery, Sestri Levante, Italy (2019)
168.
Poster
Schulze, E.; Stein, M.: Computer-Aided Surface Design: Optimizing Monolayer Composition for Physiological Membrane Tethering. TSCM - Towards Simulationg Sell Membranes, Heidelberg, Germany (2019)
169.
Poster
Sivakumar, D.; Naumann, M.; Stein, M.: Structural Basis for Cysteine Proteases OTUB1 and OTUB2 Specificity. GCC 2019, 15th German Conference on Cheminformatics, Mainz, Germany (2019)
170.
Poster
Sivakumar, D.; Stein, M.: Structural Basis for Cysteine Proteases OTUB1 and OTUB2 Specificity. CCPBioSim Annual Conference 2019, Bristol, Great Britain (2019)
171.
Poster
Stein, M.; Buchholz, H. K.: Accurate Lattice Energies of Molecular Crystals from Periodic DFT Calculations with Atom-Centred Gaussian Basis Functions. MQM 2019 - 9th Molecular Quantum Mechanics Conference, Heidelberg, Deutschland (2019)
172.
Poster
Stein, M.; Heimsaat, M.; Buchholz, H. K.: Accurate LatticeEnergies of Molecular Crystals from Periodic DFT Calculations with Atom-Centred Gaussian Basis Functions. 55th Symposium Theoretical Chemistry, Rostock, Germany (2019)
173.
Poster
Boz, E.; Tüzün, N. Ş.; Stein, M.: Reductive Amination Reaction by Control of Solvent and a Co-Catalyst. ESPA-2018 - 11th Congress on Electronic Structure: Principles and Applications, Toledo, Spain (2018)
174.
Poster
Buchholz, H. K.; Stein, M.: Accurate Lattice Energies of Organic Molecular Crystals. Faraday Discussion Meeting - Methods and applications of crystal structure prediction, Cambridge, United Kingdom (2018)
175.
Poster
Melnikov, S.; Stein, M.: Solvation and mobility of carbon dioxide in Aqueous alkanolamines: a molecular Dynamics study. 54th Symposium in Theoretical Chemistry, Halle, Germany (2018)
176.
Poster
Stein, M.; Escorcia Cabrera, A. M.: QM/MM Investigation of the functional role of a second coordination shell arginine residue in [NiFe]-Hydrogenases. 54th Symposium on Theoretical Chemistry, Halle, Germany (2018)
177.
Poster
Boz, E.; Stein, M.: Investigation of Perfluorinated Compound-Binding to Human Hepatocyte Nuclear Factor (HNF4α). WATOC 2017 - 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Munich, Germany (2017)
178.
Poster
Kohls, E.; Stein, M.: Computational kinetics of industrially relevant carbonylation reactions from renewable resources. WATOC 2017 - 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Munich, Germany (2017)
179.
Poster
Kumar, V.; Naumann, M.; Stein, M.: Inhibitor Selectivity of Human JAMM Deubiquitinylases Rpn11 and CSN5. SBDD2017 - Structure-Bases Drug Design, Computational Advances in Drug Discovery, Lausanne, Switzerland (2017)
180.
Poster
Melnikov, S.; Stein, M.: Molecular dynamics study of four aqueous alkanolamines as potential CO2 capture solvents. GCC 2017 - 13th German Conference on Chemoinformatics, Mainz, Germany (2017)
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