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- Currently displaying 14141 - 14160 of 29280 publications
Exploring activity landscapes through molecular reference structures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Enzyme catalysis from linear-scaling DFT: Application to chorismate mutase
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Oxide/water interfaces: How the surface chemistry modifies interfacial water properties
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Co-translational folding of E. coli's cytosolic proteome exhibits kinetic effects that can significantly delay folding
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Discovery, design and synthesis of a novel series of non-peptidomimetic inhibitors of XIAP-caspase 9 interactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
Novel Lithium Imides; Effects of -F, -CF3, and -C≡N Substituents on Lithium Battery Salt Stability and Dissociation
Electrochemistry
(2012)
80
18
UKRmol: A low-energy electron-and positron-molecule scattering suite
The European Physical Journal D
(2012)
66
58
(doi: 10.1140/epjd/e2011-20653-6)
Membrane lipid composition and its physicochemical properties define cell vulnerability to aberrant protein oligomers.
J Cell Sci
(2012)
125
2416
(doi: 10.1242/jcs.098434)
Lectures on Molecular- and Nano-scale Fluctuations in Water
D. Chandler and P. Varilly, in Proceedings of the International School of Physics "Enrico Fermi", Vol 176, edited by F. Mallamace and H.E. Stanley (IOS, Amsterdam; SIF, Bologna, 2012), pages 75--111
(2012)
(doi: 10.3254/978-1-61499-071-0-75)
Pharmacokinetic modelling of the anti-malarial drug artesunate and its active metabolite dihydroartemisinin
IFAC Proceedings Volumes IFAC Papersonline
(2012)
45
266
Chaperones suppress the toxicity of aberrant protein aggregates. Molecular insight into the mechanism of action
FEBS JOURNAL
(2012)
279
224
canSAR: An integrated cancer public translational research and drug discovery resource
Nucleic Acids Research
(2012)
40
D947
(doi: 10.1093/nar/gkr881)
Denaturation of HIV-1 protease (PR) monomer by acetic acid: mechanistic and trajectory insights from molecular dynamics simulations and NMR.
Journal of biomolecular structure & dynamics
(2012)
29
893
(doi: 10.1080/073911012010525025)
Structural disorder and induced folding within proteins of the replicative complex of paramyxoviruses
FEBS JOURNAL
(2012)
279
51
Towards an exact description of electronic wavefunctions in real solids
Nature
(2012)
Preconditioning of microglia with Parkinson-linked alpha-synuclein affects the response induced by Toll-like receptor (TLR) stimulation
JOURNAL OF NEUROIMMUNOLOGY
(2012)
253
146
Understanding molecular simulation: From algorithms to applications
(2012)
Corrigendum to "1,3-Dipolar cycloaddition of nitrones with phenylvinyl sulfone. An experimental and theoretical study" [Tetrahedron: Asymmetry (2012) 76-85] (DOI:10.1016/j.tetasy.2012.01.006)
Tetrahedron Asymmetry
(2012)
Continuous stream processing: a prototype magnetic field induced flow mixer
Green Processing and Synthesis
(2012)
1
11
(doi: 10.1515/greenps-2011-0501)
NMR chemical shifts and protein dynamics
FEBS JOURNAL
(2012)
279
529
