pmx: Automated protein structure and topology generation for alchemical perturbations von Gapsys, Vytautas, Michielssens, Servaas, Seeliger, Daniel, de Groot, Bert L.

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Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan von Gapsys, Vytautas, Michielssens, Servaas, Seeliger, Daniel, de Groot, Bert L.

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Binding affinities controlled by shifting conformational equilibria: opportunities and limitations von Michielssens, Servaas, de Groot, Bert L, Grubmüller, Helmut

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Improved Replica Exchange Method for Native-State Protein Sampling von Moors, Samuel L. C, Michielssens, Servaas, Ceulemans, Arnout

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Calculation of Binding Free Energies von Gapsys, Vytautas, Michielssens, Servaas, Peters, Jan Henning, de Groot, Bert L., Leonov, Hadas

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Insights from the First Principles Based Large Scale Protein Thermostability Calculations von Gapsys, Vytautas, Michielssens, Servaas, Seeliger, Daniel, de Groot, Bert L.

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Molecular Dynamic Indicators of the Photoswitching Properties of Green Fluorescent Proteins von Smyrnova, Daryna, Moeyaert, Benjamien, Michielssens, Servaas, Hofkens, Johan, Dedecker, Peter, Ceulemans, Arnout

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A Designed Conformational Shift To Control Protein Binding Specificity von Michielssens, Servaas, Peters, Jan Henning, Ban, David, Pratihar, Supriya, Seeliger, Daniel, Sharma, Monika, Giller, Karin, Sabo, Thomas Michael, Becker, Stefan, Lee, Donghan, Griesinger, Christian, de Groot, Bert L.

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Influence of the Nucleobase and Anchimeric Assistance of the Carboxyl Acid Groups in the Hydrolysis of Amino Acid Nucleoside Phosphoramidates von Maiti, Munmun, Michielssens, Servaas, Dyubankova, Natalia, Maiti, Mohitosh, Lescrinier, Eveline, Ceulemans, Arnout, Herdewijn, Piet

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Molecular Dynamic Indicators of the Photoswitching Properties of Green Fluorescent Proteins von Smyrnova, Daryna, Moeyaert, Benjamien, Michielssens, Servaas, Hofkens, Johan, Dedecker, Peter, Ceulemans, Arnout

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Molecular Dynamics in Principal Component Space von Michielssens, Servaas, van Erp, Titus S, Kutzner, Carsten, Ceulemans, Arnout, de Groot, Bert L

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Improving the identification rate of data independent label-free quantitative proteomics experiments on non-model crops: A case study on apple fruit von Buts, Kim, Michielssens, Servaas, Hertog, Maarten L.A.T.M., Hayakawa, Eisuke, Cordewener, Jan, America, Antoine H.P., Nicolai, Bart M., Carpentier, Sebastien C.

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Reactivity of Amino Acid Nucleoside Phosphoramidates: A Mechanistic Quantum Chemical Study von Michielssens, Servaas, Maiti, Munmun, Maiti, Mohitosh, Dyubankova, Natalia, Herdewijn, Piet, Ceulemans, Arnout

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Improving the identification rate of data independent label-free quantitative proteomics experiments on non-model crops: A case study on apple fruit von Buts, Kim, Michielssens, Servaas, Hertog, Maarten, Hayakawa, Eisuke, Cordewener, Jan, America, Antoine, Nicolai, Bart, Carpentier, Sebastien

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Controlling Protein Binding Specificity by a Conformational Shift von Michielssens, Servaas, Peters, Jan Henning, Ban, David, Pratihar, Supriya, Becker, Stefan, Sabo, Thomas Michael, Giller, Karin, Donghan, Lee, Griesinger, Christian, de Groot, Bert

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Influence of the nucleobase and anchimeric assistance of the carboxyl Acid groups in the hydrolysis of amino Acid nucleoside phosphoramidates von Maiti, Munmun, Michielssens, Servaas, Dyubankova, Natalia, Maiti, Mohitosh, Lescrinier, Eveline, Ceulemans, Arnout, Herdewijn, Piet

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Reactivity of amino Acid nucleoside phosphoramidates: a mechanistic quantum chemical study von Michielssens, Servaas, Maiti, Munmun, Maiti, Mohitosh, Dyubankova, Natalia, Herdewijn, Piet, Ceulemans, Arnout

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Molecular dynamics study of dipalmitoylphosphatidylcholine lipid layer self-assembly onto a single-walled carbon nanotube von Wang, Hongming, Michielssens, Servaas, Moors, Samuel L. C., Ceulemans, Arnout

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Structural basis for the role of LYS220 as proton donor for nucleotidyl transfer in HIV-1 reverse transcriptase von Michielssens, Servaas, Moors, Sam, Froeyen, Mathy, Herdewijn, Piet, Ceulemans, Arnout

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The harmonic analysis of cylindrically symmetric proteins: A comparison of Dronpa and a DNA sliding clamp von Hu, Guang, Michielssens, Servaas, Moors, Samuel L.C., Ceulemans, Arnout

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