X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (2596) 2596
Book Chapter (29) 29
Dissertation (25) 25
Conference Proceeding (17) 17
Newspaper Article (10) 10
Publication (8) 8
Book / eBook (4) 4
Government Document (1) 1
Newsletter (1) 1
Reference (1) 1
Trade Publication Article (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
science & technology (2154) 2154
free energy (1875) 1875
physical sciences (1229) 1229
chemistry (999) 999
thermodynamics (889) 889
proteins (783) 783
physics (752) 752
molecular dynamics (724) 724
science & technology - other topics (652) 652
computer simulation (638) 638
multidisciplinary sciences (616) 616
life sciences & biomedicine (590) 590
protein folding (570) 570
chemistry, physical (550) 550
molecular dynamics simulation (507) 507
models, molecular (454) 454
biochemistry & molecular biology (423) 423
kinetics (422) 422
biophysics (420) 420
research (393) 393
physics, atomic, molecular & chemical (382) 382
protein conformation (374) 374
analysis (371) 371
biological sciences (305) 305
humans (286) 286
chemistry, multidisciplinary (282) 282
biochemistry (278) 278
protein binding (258) 258
simulation (249) 249
binding sites (238) 238
freie energie (230) 230
proteins - chemistry (229) 229
technology (228) 228
ligands (215) 215
research article (211) 211
science (208) 208
algorithms (206) 206
biomolecules (205) 205
free-energy (190) 190
medicine (188) 188
energy (187) 187
mathematical analysis (187) 187
quantitative biology (186) 186
entropy (184) 184
mathematical models (184) 184
free energy landscape (183) 183
biology (177) 177
mutation (171) 171
models, chemical (167) 167
solvents (163) 163
folding (156) 156
protein structure, secondary (154) 154
computational biology (148) 148
materials science (148) 148
sampling (142) 142
amino acids (141) 141
animals (141) 141
landschaft (139) 139
crystal structure (138) 138
enzymes (137) 137
hydrogen bonding (137) 137
organic chemistry (136) 136
peptides (136) 136
molecules (135) 135
temperature (135) 135
protein structure, tertiary (131) 131
binding (129) 129
physiological aspects (127) 127
landscape (125) 125
physical chemistry (124) 124
protein structure (123) 123
molecular biology (121) 121
chemical properties (120) 120
biology and life sciences (116) 116
catalysis (116) 116
landscapes (116) 116
molecular structure (115) 115
amino acid sequence (113) 113
computer science (112) 112
usage (107) 107
protein (106) 106
methods (101) 101
computer applications (100) 100
peptides - chemistry (99) 99
trajectories (93) 93
materials science, multidisciplinary (92) 92
structure (91) 91
modeling (90) 90
mathematical & computational biology (89) 89
water - chemistry (89) 89
deoxyribonucleic acid--dna (88) 88
nucleic acid conformation (82) 82
physics, multidisciplinary (81) 81
computational chemistry (80) 80
hydrogen bonds (80) 80
computer science, interdisciplinary applications (79) 79
mathematics (79) 79
topology (79) 79
protein denaturation (78) 78
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Proceedings of the National Academy of Sciences - PNAS, ISSN 0027-8424, 10/2012, Volume 109, Issue 44, pp. 17783 - 17788
Journal Article
Science (American Association for the Advancement of Science), ISSN 1095-9203, 01/2010, Volume 327, Issue 5965, pp. 560 - 563
Journal Article
Nature chemistry, ISSN 1755-4349, 2018, Volume 10, Issue 7, pp. 732 - 739
... changes without losing crystalline order. Here, we carried out all-atom molecular dynamics simulations to map the free-energy landscape of these lattices, validated this landscape through extensive structural characterization by electron... 
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Proteins | Organic chemistry | Self assembly | Lattices | Molecular dynamics | Entropy | Electron microscopy | Electrostatic properties | Redesign | Free energy | Molecular chains | Structural analysis | MATERIALS SCIENCE
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 12/2016, Volume 145, Issue 21, p. 211909
...), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Histograms | Nucleation | Simulation | Pathways | Computer simulation | Mathematical analysis | Flux | Order parameters | Gas hydrates | Free energy | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | ORDER PARAMETERS | GAS HYDRATES | NUCLEATION | SIMULATION | EXPERIMENTAL DATA | FREE ENERGY
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 04/2017, Volume 121, Issue 15, pp. 3352 - 3363
Tyrosine kinases are important cellular signaling allosteric enzymes that regulate cell growth, proliferation, metabolism, differentiation, and migration.... 
Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Protein Conformation | src-Family Kinases - chemistry | Molecular Dynamics Simulation | src-Family Kinases - metabolism | Tyrosine | Cell proliferation | Usage | Chemical properties | Catalysis | Research | Radioactivation analysis
Journal Article
Proceedings of the National Academy of Sciences - PNAS, ISSN 1091-6490, 06/2016, Volume 113, Issue 24, pp. 6665 - 6670
We report the characterization of the energy landscape and the folding/unfolding thermodynamics of a hyperstable RNA tetraloop obtained through high-performance molecular dynamics simulations at microsecond timescales... 
Molecular dynamics | RNA | Pressure | Tetraloop | Free-energy landscape | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | RNA Folding | RNA - chemistry | RNA Stability | Molecular Dynamics Simulation | RNA sequencing | Methods | ATOMIC AND MOLECULAR PHYSICS | BASIC BIOLOGICAL SCIENCES | Biological Science | Biological Sciences | tetraloop | pressure | molecular dynamics | free-energy landscape
Journal Article
Proceedings of the National Academy of Sciences, ISSN 0027-8424, 11/2013, Volume 110, Issue 45, pp. E4185 - E4194
Journal Article
Proceedings of the National Academy of Sciences - PNAS, ISSN 0027-8424, 10/2002, Volume 99, Issue 20, pp. 12777 - 12782
Journal Article
Scientific reports, ISSN 2045-2322, 2018, Volume 8, Issue 1, pp. 2037 - 8
.... the different minima of their energy landscape. At temperatures above similar to 200 K, these fluctuations lead to a steep increase in the thermal dependence of all dynamical properties, phenomenon known as Protein Dynamical Transition... 
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Thermodynamics | Temperature | Animals | Horses | Myoglobin - chemistry | Protein Domains | Pressure | Molecular Dynamics Simulation | Myoglobin | Proteins | Neutron scattering | Temperature effects | Free energy | Biological Physics | Physics
Journal Article