Chris Oostenbrink
Affiliations: | Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland | ||
| Institute for Molecular Modeling and Simulation (MMS) | Boku University Vienna, Austria |
Website:
https://boku.ac.at/en/map/mmsGoogle:
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Children
Sign in to add trainee| Vasanthanathan Poongavanam | grad student | 2007-2010 | VU Amsterdam |
| Jozef Hritz | post-doc | (Neurotree) |
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Publications
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| Gracia Carmona O, Oostenbrink C. (2022) Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of Chemical Information and Modeling. 63: 197-207 |
| Pechlaner M, Oostenbrink C, van Gunsteren WF. (2021) On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins. Journal of Computational Chemistry |
| Öhlknecht C, Katz S, Kröß C, et al. (2021) Efficient Saturation Mutagenesis of a Member of the Caspase Protease Family. Journal of Chemical Information and Modeling |
| van Gunsteren WF, Daura X, Fuchs PFJ, et al. (2020) On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Öhlknecht C, Perthold JW, Lier B, et al. (2020) Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest-Host Systems. Journal of Chemical Theory and Computation |
| Petrov D, Tunega D, Gerzabek MH, et al. (2020) Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid. European Journal of Soil Science. 71: 831-844 |
| Diem M, Oostenbrink C. (2020) The effect of using a twin-range cut-off scheme for non-bonded interactions: Implications for force-field parameterization? Journal of Chemical Theory and Computation |
| Perthold JW, Petrov D, Oostenbrink C. (2020) Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS). Journal of Chemical Information and Modeling |
| Michlits H, Lier B, Pfanzagl V, et al. (2020) Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis. 10: 5405-5418 |
| Öhlknecht C, Petrov D, Engele P, et al. (2020) Enhancing the promiscuity of a member of the Caspase protease family by rational design. Proteins |