화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
Nguyen PH, Ramamoorthy A, Sahoo BR, Zheng J, Faller P, Straub JE, Dominguez L, Shea JE, Dokholyan NV, De Simone A, Ma BY, Nussinov R, Najafi S, Ngo ST, Loquet A, Chiricotto M, Ganguly P, McCarty J, Li MS, Hall C, Wang YM, Miller Y, Melchionna S, Habenstein B, Timr S, Chen JX, Hnath B, Strodel B, Kayed R, Lesne S, Wei GH, Sterpone F, Doig AJ, Derreumaux P
Chemical Reviews, 121(4), 2545, 2021
2 Structural basis of membrane disruption and cellular toxicity by alpha-synuclein oligomers
Fusco G, Chen SW, Williamson PTF, Cascella R, Perni M, Jarvis JA, Cecchi C, Vendruscolo M, Chiti F, Cremades N, Ying LM, Dobson CM, De Simone A
Science, 358(6369), 1440, 2017
3 Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies
Nasica-Labouze J, Nguyen PH, Sterpone F, Berthoumieu O, Buchete NV, Cote S, De Simone A, Doig AJ, Faller P, Garcia A, Laio A, Li MS, Melchionna S, Mousseau N, Mu YG, Paravastu A, Pasquali S, Rosenman DJ, Strodel B, Tarus B, Viles JH, Zhang T, Wang CY, Derreumaux P
Chemical Reviews, 115(9), 3518, 2015
4 Cucurbit[8]uril and Blue-Box: High-Energy Water Release Overwhelms Electrostatic Interactions
Biedermann F, Vendruscolo M, Scherman OA, De Simone A, Nau WM
Journal of the American Chemical Society, 135(39), 14879, 2013
5 Characterization of the Conformational Equilibrium between the Two Major Substates of RNase A Using NMR Chemical Shifts
Camilloni C, Robustelli P, De Simone A, Cavalli A, Vendruscolo M
Journal of the American Chemical Society, 134(9), 3968, 2012
6 Release of High-Energy Water as an Essential Driving Force for the High-Affinity Binding of Cucurbit[n]urils
Biedermann F, Uzunova VD, Scherman OA, Nau WM, De Simone A
Journal of the American Chemical Society, 134(37), 15318, 2012
7 Toward an Accurate Determination of Free Energy Landscapes in Solution States of Proteins
De Simone A, Richter B, Salvatella X, Vendruscolo M
Journal of the American Chemical Society, 131(11), 3810, 2009
8 Accurate Random Coil Chemical Shifts from an Analysis of Loop Regions in Native States of Proteins
De Simone A, Cavalli A, Hsu STD, Vranken W, Vendruscolo M
Journal of the American Chemical Society, 131(45), 16332, 2009
9 Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
De Simone A, Pedone C, Vitagliano L
Biochemical and Biophysical Research Communications, 366(3), 800, 2008
10 Role of hydration in collagen triple helix stabilization
De Simone A, Vitagliano L, Berisio R
Biochemical and Biophysical Research Communications, 372(1), 121, 2008