Normal modes in partially optimized systems: the Mobile Block Hessian (MBH) approach A. Ghysels Invited talkConference / event / venue Meeting with SCMAmsterdam, the NetherlandsSaturday, 22 September, 2007 Read more about Normal modes in partially optimized systems: the Mobile Block Hessian (MBH) approach
Normal modes in partially optimized molecular structures: the mobile block Hessian (MBH) approach A. Ghysels Invited talkConference / event / venue Group meeting at research group of B. BrooksLab. of Comp. Biology, NHLBI, NIH, Maryland, USTuesday, 6 November, 2007 Read more about Normal modes in partially optimized molecular structures: the mobile block Hessian (MBH) approach
Normal modes in partially optimized systems: the Mobile Block Hessian (MBH) approach A. Ghysels TalkConference / event / venue Workshop on Mechanistic Analysis of Biological Systems with Novel Computational modelsTelluride, Colorado, UsMonday, 24 March, 2008 to Friday, 28 March, 2008 Read more about Normal modes in partially optimized systems: the Mobile Block Hessian (MBH) approach
On the development of a partial vibrational analysis within a QM/MM approach A. Ghysels, V. Van Speybroeck, B.R. Brooks, M. Waroquier TalkConference / event / venue 3rd CMM 'Users Meet Developers' Workshop on QM/MM SimulationsPhiladelphia, Pennsylvania, USThursday, 21 August, 2008 to Saturday, 23 August, 2008 Read more about On the development of a partial vibrational analysis within a QM/MM approach
Towards normal mode analysis in extended molecular systems: the Mobile Block Hessian approach A. Ghysels TalkUniversity of California - Berkeley, CA, USATuesday, 11 August, 2009 Read more about Towards normal mode analysis in extended molecular systems: the Mobile Block Hessian approach
The evaluation of the QM/MM full Hessian and some applications H. Lee Woodcock III, A. Ghysels, Y. Shao, J. Kong, B.R. Brooks TalkConference / event / venue 238th ACS National MeetingWashington DCSunday, 16 August, 2009 to Thursday, 20 August, 2009 Read more about The evaluation of the QM/MM full Hessian and some applications
Normal mode analysis of macromolecular systems with the Mobile Block Hessian method A. Ghysels, V. Van Speybroeck, D. Van Neck, B.R. Brooks, M. Waroquier 4 pagesTalkConference / event / venue International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009)Rhodos, GreeceTuesday, 29 September, 2009 to Sunday, 4 October, 2009 Read more about Normal mode analysis of macromolecular systems with the Mobile Block Hessian method
Efficient calculation of QM/MM frequencies with the Mobile Block Hessian method A. Ghysels, H. Lee Woodcock III, Y. Shao, J. Kong, B.R. Brooks, D. Van Neck, V. Van Speybroeck, M. Waroquier TalkConference / event / venue North American Meeting on Industrial and Applied Mathematics (NAMIAM)Huatulco, MexicoMonday, 6 December, 2010 to Saturday, 11 December, 2010 Read more about Efficient calculation of QM/MM frequencies with the Mobile Block Hessian method
Investigating framework flexibility with Monte Carlo simulations A. Ghysels TalkConference / event / venue 2nd CP2K Tutorial: enabling the power of imagination in MD simulationsZurich, SwitzerlandMonday, 7 February, 2011 to Friday, 11 February, 2011 Read more about Investigating framework flexibility with Monte Carlo simulations
Understanding framework flexibility by Monte Carlo simulation A. Ghysels, V. Van Speybroeck, M. Waroquier, B. Smit 14-COMPISBN/ISSN: 0065-7727TalkConference / event / venue ACS Spring 2011 National Meeting & ExpositionAnaheim, California, USASunday, 27 March, 2011 to Thursday, 31 March, 2011 Read more about Understanding framework flexibility by Monte Carlo simulation