화학공학소재연구정보센터
검색결과 : 26건
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 Multi-scale simulations of biological systems using the OPEP coarse-grained model
Sterpone F, Doutreligne S, Tran TT, Melchionna S, Baaden M, Nguyen PH, Derreumaux P
Biochemical and Biophysical Research Communications, 498(2), 296, 2018
3 Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study
Sterpone F, Derreumaux P, Melchionna S
Journal of Physical Chemistry B, 122(5), 1573, 2018
4 Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations
Cruz-Leon S, Vazquez-Mayagoitia A, Melchionna S, Schwierz N, Fyta M
Journal of Physical Chemistry B, 122(32), 7915, 2018
5 Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses
Languin-Cattoen O, Melchionna S, Derreumaux P, Stirnemann G, Sterpone F
Journal of Physical Chemistry B, 122(50), 11922, 2018
6 Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation
Datar AV, Fyta M, Marconi UMB, Melchionna S
Langmuir, 33(42), 11635, 2017
7 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
8 Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains
Rahaman O, Kalimeri M, Melchionna S, Henin J, Sterpone F
Journal of Physical Chemistry B, 119(29), 8939, 2015
9 How Conformational Flexibility Stabilizes the Hyperthermophilic Elongation Factor G-Domain
Kalimeri M, Rahaman O, Melchionna S, Sterpone F
Journal of Physical Chemistry B, 117(44), 13775, 2013
10 Charge Transport in Nanochannels: A Molecular Theory
Marconi UMB, Melchionna S
Langmuir, 28(38), 13727, 2012