Zobrazeno 1 - 8
of 8
pro vyhledávání: '"C Ruben Vosmeer"'
Autor:
Stephanie Maiwald, Suthesh Sivapalaratnam, Mahdi M Motazacker, Julian C van Capelleveen, Ilze Bot, Saskia C de Jager, Miranda van Eck, Jennifer Jolley, Johan Kuiper, Jonathon Stephens, Cornelius A Albers, C Ruben Vosmeer, Heleen Kruize, Daan P Geerke, Allard C van der Wal, Chris M van der Loos, John J P Kastelein, Mieke D Trip, Willem H Ouwehand, Geesje M Dallinga-Thie, G Kees Hovingh
Publikováno v:
PLoS ONE, Vol 9, Iss 5, p e98289 (2014)
Genetic factors explain a proportion of the inter-individual variation in the risk for atherosclerotic events, but the genetic basis of atherosclerosis and atherothrombosis in families with Mendelian forms of premature atherosclerosis is incompletely
Externí odkaz:
https://doaj.org/article/d0ef6506d4f4491a80ea2afb192bac40
Autor:
Daniël Verhoef, Koen M. Visscher, C. Ruben Vosmeer, Ka Lei Cheung, Pieter H. Reitsma, Daan P. Geerke, Mettine H. A. Bos
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-10 (2017)
A major drawback in the clinical use of the oral anticoagulants that directly inhibit factor Xa in order to prevent blood clot formation is the potential for life threatening bleeding events. Here the authors describe factor Xa variants that are refr
Externí odkaz:
https://doaj.org/article/b141be2853c5434db46bb976a6a0ac12
Autor:
C. Ruben Vosmeer, René Pool, Mariël F. van Stee, Lovorka Perić-Hassler, Nico P. E. Vermeulen, Daan P. Geerke
Publikováno v:
International Journal of Molecular Sciences, Vol 15, Iss 1, Pp 798-816 (2014)
Binding affinity prediction of potential drugs to target and off-target proteins is an essential asset in drug development. These predictions require the calculation of binding free energies. In such calculations, it is a major challenge to properly
Externí odkaz:
https://doaj.org/article/d904e19f7d6941d8956e020598e92047
Publikováno v:
Visscher, K M, Vosmeer, C R, Luirink, R A & Geerke, D P 2017, ' A Systematic Approach to Calibrate a Transferable Polarizable Force Field Parameter Set for Primary Alcohols ', Journal of Computational Chemistry, vol. 38, no. 8, pp. 508-517 . https://doi.org/10.1002/jcc.24702
Journal of Computational Chemistry, 38(8), 508-517. John Wiley and Sons Inc.
Journal of Computational Chemistry, 38(8), 508-517. John Wiley and Sons Inc.
In this work, parameters are optimized for a charge-on-spring based polarizable force field for linear alcohols. We show that parameter transferability can be obtained using a systematic approach in which the effects of parameter changes on physico-c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0aba0df839269b9c13d6b4acd23e5ecd
https://research.vu.nl/en/publications/e80def09-ddb9-4e95-9b26-9581995d5583
https://research.vu.nl/en/publications/e80def09-ddb9-4e95-9b26-9581995d5583
Autor:
Luigi Capoferri, Daan P. Geerke, Derk P. Kooi, C. Ruben Vosmeer, Nico P. E. Vermeulen, Margreet M. Terpstra
Publikováno v:
Journal of Molecular Modeling, 1:31. Springer Verlag
Vosmeer, C R, Kooi, D P, Capoferri, L, Terpstra, M M, Vermeulen, N P E & Geerke, D P 2016, ' Improving the iterative linear interaction energy approach using automated recognition of configurational transitions. ', Journal of Molecular Modeling, vol. 1, 31 . https://doi.org/10.1007/s00894-015-2883-y
Journal of Molecular Modeling
Vosmeer, C R, Kooi, D P, Capoferri, L, Terpstra, M M, Vermeulen, N P E & Geerke, D P 2016, ' Improving the iterative linear interaction energy approach using automated recognition of configurational transitions. ', Journal of Molecular Modeling, vol. 1, 31 . https://doi.org/10.1007/s00894-015-2883-y
Journal of Molecular Modeling
Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was sho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e76eb8c0d075d8248f4ae8ef2b5b008
https://research.vu.nl/en/publications/68d814af-97bd-4c5b-9720-d68fca3e2c30
https://research.vu.nl/en/publications/68d814af-97bd-4c5b-9720-d68fca3e2c30
Autor:
Julian C. van Capelleveen, Stephanie Maiwald, Geesje M. Dallinga-Thie, Suthesh Sivapalaratnam, Heleen Kruize, John J.P. Kastelein, Miranda van Eck, Cornelius A. Albers, Ilze Bot, Willem H. Ouwehand, Chris M. van der Loos, Mieke D. Trip, G. Kees Hovingh, M. Mahdi Motazacker, Jennifer Jolley, C. Ruben Vosmeer, J. Stephens, Johan Kuiper, Saskia C.A. de Jager, Daan P. Geerke, Allard C. van der Wal
Publikováno v:
PLoS ONE
PLoS ONE, Vol 9, Iss 5, p e98289 (2014)
Maiwald, S, Sivapalaratnam, S, Motazacker, M M, van Capelleveen, J C, Bot, I, de Jager, S C, van Eck, M, Jolley, J, Kuiper, J, Stephens, J, Albers, C A, Vosmeer, C R, Kruize, H, Geerke, D P, van der Wal, A C, van der Loos, C M, Kastelein, J J P, Trip, M D, Ouwehand, W H, Dallinga-Thie, G M & Hovingh, G K 2014, ' Mutation in KERA Identified by Linkage Analysis and Targeted Resequencing in a Pedigree with Premature Atherosclerosis ', PLoS ONE, vol. 9, no. 5 . https://doi.org/10.1371/journal.pone.0098289
PLoS ONE, 9(5). Public Library of Science
PLoS One, 9
PLoS One, 9, 5
PLoS ONE, 9(5), e98289
PLoS ONE, Vol 9, Iss 5, p e98289 (2014)
Maiwald, S, Sivapalaratnam, S, Motazacker, M M, van Capelleveen, J C, Bot, I, de Jager, S C, van Eck, M, Jolley, J, Kuiper, J, Stephens, J, Albers, C A, Vosmeer, C R, Kruize, H, Geerke, D P, van der Wal, A C, van der Loos, C M, Kastelein, J J P, Trip, M D, Ouwehand, W H, Dallinga-Thie, G M & Hovingh, G K 2014, ' Mutation in KERA Identified by Linkage Analysis and Targeted Resequencing in a Pedigree with Premature Atherosclerosis ', PLoS ONE, vol. 9, no. 5 . https://doi.org/10.1371/journal.pone.0098289
PLoS ONE, 9(5). Public Library of Science
PLoS One, 9
PLoS One, 9, 5
PLoS ONE, 9(5), e98289
AIMS\nGenetic factors explain a proportion of the inter-individual variation in the risk for atherosclerotic events, but the genetic basis of atherosclerosis and atherothrombosis in families with Mendelian forms of premature atherosclerosis is incomp
Publikováno v:
Physical Chemistry Chemical Physics-PCCP, 17857-17862. The Royal Society of Chemistry
ISSUE=16;STARTPAGE=17857;ENDPAGE=17862;ISSN=1463-9076;TITLE=Physical Chemistry Chemical Physics-PCCP
Vosmeer, C R, Kiewisch, K, Keijzer, K, Visscher, L & Geerke, D P 2014, ' A Comparison Between QM/MM And QM/QM Based Fitting of Condensed-Phase Atomic Polarizabilities ', Physical Chemistry Chemical Physics-PCCP, no. 16, pp. 17857-17862 . https://doi.org/10.1039/c4cp02401j
ISSUE=16;STARTPAGE=17857;ENDPAGE=17862;ISSN=1463-9076;TITLE=Physical Chemistry Chemical Physics-PCCP
Vosmeer, C R, Kiewisch, K, Keijzer, K, Visscher, L & Geerke, D P 2014, ' A Comparison Between QM/MM And QM/QM Based Fitting of Condensed-Phase Atomic Polarizabilities ', Physical Chemistry Chemical Physics-PCCP, no. 16, pp. 17857-17862 . https://doi.org/10.1039/c4cp02401j
Recently we reported a combined QM/MM approach to estimate condensed-phase values of atomic polarizabilities for use in (bio)molecular simulation. The setup relies on a MM treatment of the solvent when determining atomic polarizabilities to describe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f1718c9921abe4ca8ee77d692935232
https://research.vu.nl/en/publications/12907b12-22a5-4b0e-b9c6-0de903657c5c
https://research.vu.nl/en/publications/12907b12-22a5-4b0e-b9c6-0de903657c5c
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