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  • Currently displaying 141 - 160 of 18867 publications
The role of cracks in the crystal nucleation process of amorphous griseofulvin
JF Willart, E Dudognon, A Mahieu, M Eddleston, W Jones, M Descamps
– The European Physical Journal Special Topics
(2017)
226,
837
Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity.
CP Baburajeev, CD Mohan, S Rangappa, DJ Mason, JE Fuchs, A Bender, U Barash, I Vlodavsky, Basappa, KS Rangappa
– BMC cancer
(2017)
17,
235
Improving Computational Predictions of Single-Stranded RNA Tetramers with Revised α/γ Torsional Parameters for the Amber Force Field
DJ Wales, I Yildirim
– J Phys Chem B
(2017)
121,
2989
An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.
N Struch, C Bannwarth, TK Ronson, Y Lorenz, B Mienert, N Wagner, M Engeser, E Bill, R Puttreddy, K Rissanen, J Beck, S Grimme, JR Nitschke, A Lützen
– Angew Chem Int Ed Engl
(2017)
56,
4930
Dipole-Moment Reversal in a Polar Organic Monolayer Probed by Sum and Difference Frequency Spectroscopy
NG Rey, M Sacchi, SJ Jenkins, H Arnolds
– The Journal of Physical Chemistry C
(2017)
121,
6692
Multisite aggregation of p53 and implications for drug rescue
GZ Wang, AR Fersht
– Proceedings of the National Academy of Sciences of the United States of America
(2017)
114,
E2634
Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems
VK de Souza, JD Stevenson, SP Niblett, JD Farrell, DJ Wales
– The Journal of chemical physics
(2017)
146,
124103
Targeting low-cost type-II heterostructures: Synthesis, structure and photoreactivity
A Kar, S Sain, D Rossouw, BR Knappett, SK Pradhan, GA Botton, AEH Wheatley
– Journal of Alloys and Compounds
(2017)
698,
944
DESolution of CD and CB Macrocycles
JA McCune, S Kunz, M Olesińska, OA Scherman
– Chemistry
(2017)
23,
8601
Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson’s disease: a comparison of 33 human and animal studies
E Oerton, A Bender
– BMC Neurology
(2017)
17,
58
MOAG-4 promotes the aggregation of α-synuclein by competing with self-protective electrostatic interactions
Y Yoshimura, MA Holmberg, P Kukic, CB Andersen, A Mata-Cabana, SF Falsone, M Vendruscolo, EAA Nollen, FAA Mulder
– J Biol Chem
(2017)
292,
8269
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
S Sharma, AA Holmes, G Jeanmairet, A Alavi, CJ Umrigar
– Journal of Chemical Theory and Computation
(2017)
13,
1595
Online Quantification of Criegee Intermediates of alpha-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection
C Giorio, SJ Campbell, M Bruschi, F Tampieri, A Barbon, A Toffoletti, A Tapparo, C Paijens, AJ Wedlake, P Grice, DJ Howe, M Kalberer
– Journal of the American Chemical Society
(2017)
139,
3999
Decoding heat capacity features from the energy landscape.
DJ Wales
– Phys Rev E
(2017)
95,
030105
Simultaneous quantification of protein order and disorder.
P Sormanni, D Piovesan, GT Heller, M Bonomi, P Kukic, C Camilloni, M Fuxreiter, Z Dosztanyi, RV Pappu, MM Babu, S Longhi, P Tompa, AK Dunker, VN Uversky, SCE Tosatto, M Vendruscolo
– Nature Chemical Biology
(2017)
13,
339
First-principles simulations of vibrational decay and lifetimes in a-Si:H and a-Si:D
R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
– Physical Review B
(2017)
95,
ARTN 104205
A natural product inhibits the initiation of alpha-synuclein aggregation and suppresses its toxicity (vol 114, pg E1009, 2017)
M Perni, C Galvagnion, A Maltsev, G Meisl, MBD Mueller, PK Challa, JB Kirkegaard, P Flagmeier, SIA Cohen, R Cascella, SW Chen, R Limboker, P Sormanni, GT Heller, FA Aprile, N Cremades, C Cecchi, F Chiti, EAA Nollen, TPJ Knowles, M Vendruscolo, A Bax, M Zasloff, CM Dobson
– Proceedings of the National Academy of Sciences
(2017)
114,
E2543
Coexistence of low and high overlap phases in a supercooled liquid: An integral equation investigation
J-M Bomont, G Pastore, J-P Hansen
– The Journal of chemical physics
(2017)
146,
114504
Identification of an RNA Polymerase III Regulator Linked to Disease-Associated Protein Aggregation.
O Sin, T de Jong, A Mata-Cabana, M Kudron, MA Zaini, FA Aprile, RI Seinstra, E Stroo, RW Prins, CN Martineau, HH Wang, W Hogewerf, A Steinhof, EE Wanker, M Vendruscolo, CF Calkhoven, V Reinke, V Guryev, EAA Nollen
– Molecular Cell
(2017)
65,
1096
A surface site interaction point methodology for macromolecules and huge molecular databases.
A Oliver, CA Hunter, R Prohens, JL Rosselló
– Journal of Computational Chemistry
(2017)
38,
419

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