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2006, Chapman & Hall/CRC mathematical and computational biology series, ISBN 158488472X, xxiv, 406
Book
Geophysical Journal International, ISSN 1365-246X, 2008, Volume 173, Issue 1, pp. 205 - 219
Journal Article
Chemical Reviews, ISSN 0009-2665, 11/2016, Volume 116, Issue 22, pp. 14137 - 14180
In quantum mechanochemistry, quantum chemical methods are used to describe molecules under the influence of an external force. The calculation of geometries,... 
TITIN IMMUNOGLOBULIN DOMAINS | POLYMER MECHANOCHEMISTRY | PHOTOSWITCH RUPTURES BONDS | RING-OPENING REACTIONS | PHOTOACTIVE YELLOW PROTEIN | GEOMETRY OPTIMIZATION | NORMAL-MODE ANALYSIS | DENSITY-FUNCTIONAL THEORY | MOLECULAR-DYNAMICS SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | P-COUMARIC ACID
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, ISSN 1948-7185, 11/2016, Volume 7, Issue 22, pp. 4501 - 4508
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 02/2018, Volume 148, Issue 5, p. 054103
Protein structural fluctuation, measured by Debye-Waller factors or B-factors, is known to correlate to protein flexibility and function. A variety of methods... 
CHAPERONIN GROEL | ENERGY | SINGLE-PARAMETER | FLUCTUATIONS | STABILITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CRYSTALS | CHEMISTRY, PHYSICAL | NORMAL-MODE ANALYSIS | MOTIONS | ELASTIC-NETWORK MODEL | Proteins | Accuracy | Numerical methods | Correlation coefficients | Variations | Atomic properties | Docking | Stability analysis | Rigidity | Debye-Waller factor | Test sets | Flexibility
Journal Article
Optics Express, ISSN 1094-4087, 11/2013, Volume 21, Issue 22, pp. 27371 - 27382
We present a semi-analytical formalism capable of handling the coupling of electromagnetic sources, such as point dipoles or free-propagating fields, with... 
LEAKY OPTICAL CAVITIES | VOLUME | OPTICS | Optics | Physics
Journal Article
Bioinformatics, ISSN 1367-4803, 3/2009, Volume 25, Issue 5, pp. 606 - 614
Motivation: To efficiently analyze the 'native ensemble of conformations' accessible to proteins near their folded state and to extract essential information... 
ACTIVE-SITES | BIOCHEMICAL RESEARCH METHODS | NETWORK MODEL | PROTEIN STRUCTURES | DATABASE | BIOTECHNOLOGY & APPLIED MICROBIOLOGY | ENZYMES | MATHEMATICAL & COMPUTATIONAL BIOLOGY | COLLECTIVE MOTIONS | NORMAL-MODE ANALYSIS | CATALYTIC SITE | RESIDUES | ENERGY LANDSCAPE | Original Papers
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2016, Volume 37, Issue 14, pp. 1283 - 1295
Journal Article