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Mark P Waller

Showing results (21-30 of 39) with videos related to

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The Journal of Physical Chemistry. B|March 27, 2009
51V NMR chemical shifts calculated from QM/MM models of peroxo forms of vanadium haloperoxidasesK R Geethalakshmi, Mark P Waller, Walter Thiel, et al.
Chemical Society Reviews|January 28, 2012
Investigating inclusion complexes using quantum chemical methodsMark P Waller, Holger Kruse, Christian Mück-Lichtenfeld, et al.
Acta Crystallographica. Section D, Structural Biology|January 4, 2017
Q|R: quantum-based refinementMin Zheng, Jeffrey R Reimers, Mark P Waller, et al.
ACS Central Science|February 3, 2018
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural NetworksMarwin H S Segler, Thierry Kogej, Christian Tyrchan, et al.
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitroneDavid E Hibbs, Siân T Howard, Jeremy P Huke, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 19, 2007
51V NMR chemical shifts calculated from QM/MM models of vanadium chloroperoxidaseMark P Waller, Michael Bühl, K R Geethalakshmi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 21, 2015
Sequence-Dependent Duplex Stabilization upon Formation of a Metal-Mediated Base PairPhilipp Scharf, Biswarup Jash, Jissy A Kuriappan, et al.
Journal of Inorganic Biochemistry|April 30, 2013
A QM/MM refinement of an experimental DNA structure with metal-mediated base pairsSadhana Kumbhar, Silke Johannsen, Roland K O Sigel, et al.
Journal of Computational Chemistry|January 31, 2006
Hybrid density functional theory for pi-stacking interactions: application to benzenes, pyridines, and DNA basesMark P Waller, Arturo Robertazzi, James A Platts, et al.
Organic & Biomolecular Chemistry|November 8, 2014
pH response and molecular recognition in a low molecular weight peptide hydrogelStefanie C Lange, Jan Unsleber, Patrick Drücker, et al.
Pageof 4

Showing results (21-30 of 39) with videos related to

Sort By:
Pageof 4
The Journal of Physical Chemistry. B|March 27, 2009
51V NMR chemical shifts calculated from QM/MM models of peroxo forms of vanadium haloperoxidasesK R Geethalakshmi, Mark P Waller, Walter Thiel, et al.
Chemical Society Reviews|January 28, 2012
Investigating inclusion complexes using quantum chemical methodsMark P Waller, Holger Kruse, Christian Mück-Lichtenfeld, et al.
Acta Crystallographica. Section D, Structural Biology|January 4, 2017
Q|R: quantum-based refinementMin Zheng, Jeffrey R Reimers, Mark P Waller, et al.
ACS Central Science|February 3, 2018
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural NetworksMarwin H S Segler, Thierry Kogej, Christian Tyrchan, et al.
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitroneDavid E Hibbs, Siân T Howard, Jeremy P Huke, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 19, 2007
51V NMR chemical shifts calculated from QM/MM models of vanadium chloroperoxidaseMark P Waller, Michael Bühl, K R Geethalakshmi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 21, 2015
Sequence-Dependent Duplex Stabilization upon Formation of a Metal-Mediated Base PairPhilipp Scharf, Biswarup Jash, Jissy A Kuriappan, et al.
Journal of Inorganic Biochemistry|April 30, 2013
A QM/MM refinement of an experimental DNA structure with metal-mediated base pairsSadhana Kumbhar, Silke Johannsen, Roland K O Sigel, et al.
Journal of Computational Chemistry|January 31, 2006
Hybrid density functional theory for pi-stacking interactions: application to benzenes, pyridines, and DNA basesMark P Waller, Arturo Robertazzi, James A Platts, et al.
Organic & Biomolecular Chemistry|November 8, 2014
pH response and molecular recognition in a low molecular weight peptide hydrogelStefanie C Lange, Jan Unsleber, Patrick Drücker, et al.
Pageof 4