المؤلفون: de Ruyck J, Brysbaert G, Blossey R, Lensink MF

المصدر: Advances and Applications in Bioinformatics and Chemistry, Vol 2016, Iss Issue 1, Pp 1-11 (2016)

مصطلحات موضوعية: Structure-based drug-design, Protein-protein docking, Quaternary structure prediction, Residue Interactions Networks, RIN, Biology (General), QH301-705.5, Biochemistry, QD415-436

وصف الملف: electronic resource

Relation: https://www.dovepress.com/molecular-docking-as-a-popular-tool-in-drug-design-an-in-silico-travel-peer-reviewed-article-AABC; https://doaj.org/toc/1178-6949

URL الوصول: https://doaj.org/article/51ba44436efa4afb9f7dee8bb504ba62

المؤلفون: Rispens, Theo, Lensink, MF, Berendsen, HJC, Engberts, JBFN

المصدر: Rispens , T , Lensink , MF , Berendsen , HJC & Engberts , JBFN 2004 , ' Molecular dynamics simulation of the effect of hydrophobic cosolutes on the neutral hydrolysis of an activated ester ' , Journal of Physical Chemistry B , vol. 108 , no. 17 , pp. 5483-5488 . https://doi.org/10.1021/jp037120o

مصطلحات موضوعية: METHANOL-WATER MIXTURES, TRANSITION-STATE THEORY, TERT-BUTYL ALCOHOL, AQUEOUS-SOLUTIONS, COMPUTER EXPERIMENTS, HEAT-CAPACITIES, LIQUID METHANOL, QUANTUM, SOLVATION, PARAMETERS

وصف الملف: application/pdf

Relation: https://research.rug.nl/en/publications/41f5559b-16ef-4ac3-bcf7-ec6428fc8be4

الاتاحة: https://hdl.handle.net/11370/41f5559b-16ef-4ac3-bcf7-ec6428fc8be4
https://research.rug.nl/en/publications/41f5559b-16ef-4ac3-bcf7-ec6428fc8be4
https://doi.org/10.1021/jp037120o
https://pure.rug.nl/ws/files/10279128/2004JPhysChemBRispens.pdf

المؤلفون: Dupré E, Roy CR, Herrou J, Lensink MF, Wintjens R, Vagin A, Lebedev A, Crosson S, Villeret V, Locht C, Antoine R, Jacob-Dubuisson F

Relation: Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/17873796

الاتاحة: http://purl.org/net/epubs/work/17873796

المؤلفون: Roosbeek S, Peelman F, Verhee A, Labeur C, Caster H, Lensink MF, Cirulli C, Grooten J, Cochet C, Vandekerckhove J, Chimini G, Tavernier J, Rosseneu M., AMORESANO, ANGELA

المساهمون: Roosbeek, S, Peelman, F, Verhee, A, Labeur, C, Caster, H, Lensink, Mf, Cirulli, C, Grooten, J, Cochet, C, Vandekerckhove, J, Amoresano, Angela, Chimini, G, Tavernier, J, Rosseneu, M.

وصف الملف: STAMPA

Relation: volume:279; firstpage:37779; lastpage:37788; journal:THE JOURNAL OF BIOLOGICAL CHEMISTRY; http://hdl.handle.net/11588/508274; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-4444306835

الاتاحة: http://hdl.handle.net/11588/508274

المؤلفون: Lensink, MF, Mavri, J, Berendsen, HJC

المصدر: Lensink , MF , Mavri , J & Berendsen , HJC 1999 , ' Simulation of slow reaction with quantum character : Neutral hydrolysis of carboxylic ester ' , Journal of Computational Chemistry , vol. 20 , no. 8 , pp. 886-895 .

مصطلحات موضوعية: nonadiabatic quantum dynamics, molecular dynamics, proton transfer, ester hydrolysis, MOLECULAR-DYNAMICS SIMULATIONS, DENSITY-MATRIX EVOLUTION, PROTON-TRANSFER REACTIONS, ACYL-ACTIVATED ESTERS, NONADIABATIC TRANSITIONS, AQUEOUS-SOLUTION, ELECTRON-TRANSFER, HEAT-CAPACITIES, GAS-PHASE, SOLVENT

Relation: https://research.rug.nl/en/publications/d3976f6f-34f5-45de-98ab-b9dac3cf9282

الاتاحة: https://hdl.handle.net/11370/d3976f6f-34f5-45de-98ab-b9dac3cf9282
https://research.rug.nl/en/publications/d3976f6f-34f5-45de-98ab-b9dac3cf9282

المؤلفون: Lensink, MF, Mavri, J, Berendsen, HJC

المساهمون: Groningen Biomolecular Sciences and Biotechnology

المصدر: Journal of Computational Chemistry, 20(8), 886-895. Wiley

مصطلحات موضوعية: SOLVENT, MOLECULAR-DYNAMICS SIMULATIONS, proton transfer, ester hydrolysis, GAS-PHASE, molecular dynamics, ACYL-ACTIVATED ESTERS, AQUEOUS-SOLUTION, HEAT-CAPACITIES, PROTON-TRANSFER REACTIONS, ELECTRON-TRANSFER, NONADIABATIC TRANSITIONS, nonadiabatic quantum dynamics, DENSITY-MATRIX EVOLUTION

URL الوصول: https://explore.openaire.eu/search/publication?articleId=narcis______::e5416b08c7259ee7f21387f85a20f9ec
https://research.rug.nl/en/publications/d3976f6f-34f5-45de-98ab-b9dac3cf9282

المؤلفون: Roosbeek S., Peelman F., Verhee A., Labeur C., Caster H., Lensink M. F., CIRULLI, CLAUDIA, Grooten J., Cochet C., Vandekerckhove J., AMORESANO, ANGELA, Chimini G., Tavernier J., Rosseneu M.

المساهمون: Roosbeek, S, Peelman, F, Verhee, A, Labeur, C, Caster, H, Lensink, Mf, Cirulli, C, Grooten, J, Cochet, C, Vandekerckhove, J, Amoresano, Angela, Chimini, G, Tavernier, J, Rosseneu, M., Roosbeek, S., Peelman, F., Verhee, A., Labeur, C., Caster, H., Lensink, M. F., Cirulli, Claudia, Grooten, J., Cochet, C., Vandekerckhove, J., Chimini, G., Tavernier, J.

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ce0db76f6c23822b5938088c9e4e06ab
http://hdl.handle.net/11588/508274