X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (4417) 4417
Publication (992) 992
Book Chapter (92) 92
Conference Proceeding (49) 49
Book Review (13) 13
Dissertation (11) 11
Newspaper Article (9) 9
Reference (5) 5
Book / eBook (4) 4
Data Set (3) 3
Newsletter (3) 3
Government Document (1) 1
Trade Publication Article (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (2011) 2011
free energy (1753) 1753
thermodynamics (1388) 1388
proteins (1151) 1151
chemistry, physical (1119) 1119
molecular dynamics (1047) 1047
computer simulation (1004) 1004
protein folding (918) 918
models, molecular (909) 909
molecular dynamics simulation (866) 866
biochemistry & molecular biology (830) 830
physics, atomic, molecular & chemical (829) 829
biophysics (781) 781
free-energy (780) 780
kinetics (758) 758
analysis (709) 709
free-energy landscape (681) 681
multidisciplinary sciences (674) 674
molecular-dynamics simulations (669) 669
molecular-dynamics (667) 667
protein conformation (664) 664
research (511) 511
simulation (506) 506
dynamics (503) 503
chemistry, multidisciplinary (486) 486
article (478) 478
proteins - chemistry (474) 474
protein (467) 467
humans (455) 455
algorithms (444) 444
protein binding (409) 409
simulations (396) 396
force-field (353) 353
biological sciences (345) 345
binding (332) 332
protein structure, secondary (327) 327
binding sites (321) 321
biomolecules (321) 321
temperature (320) 320
chemistry (315) 315
physics (314) 314
biochemistry (313) 313
models, chemical (302) 302
water (298) 298
ligands (293) 293
model (286) 286
free-energy calculations (274) 274
mechanism (267) 267
hydrogen bonding (266) 266
peptides (266) 266
entropy (265) 265
quantitative biology (258) 258
peptides - chemistry (256) 256
biology (254) 254
freie energie (254) 254
models (249) 249
mathematical models (244) 244
protein structure, tertiary (240) 240
animals (238) 238
stability (235) 235
landscape (234) 234
chemical properties (233) 233
research article (231) 231
energy (223) 223
mutation (222) 222
solvents (222) 222
free-energy landscapes (219) 219
science (218) 218
amino acid sequence (211) 211
physical sciences (211) 211
crystal-structure (207) 207
medicine (205) 205
computational biology (204) 204
water - chemistry (204) 204
mathematical analysis (200) 200
pathways (193) 193
enzymes (192) 192
landscapes (188) 188
folding (186) 186
molecules (183) 183
molecular structure (182) 182
systems (179) 179
catalysis (176) 176
transition-state (176) 176
sampling (175) 175
usage (175) 175
molecular biology (173) 173
free energy landscape (170) 170
solvation (170) 170
materials science, multidisciplinary (167) 167
energy landscape (164) 164
nucleic acid conformation (163) 163
physical chemistry (163) 163
proteins - metabolism (160) 160
amino acids (159) 159
molecular conformation (158) 158
solvents - chemistry (156) 156
computer science, interdisciplinary applications (154) 154
organic chemistry (154) 154
physiological aspects (153) 153
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


Biochemistry, ISSN 0006-2960, 06/2015, Volume 54, Issue 22, pp. 3431 - 3441
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 04/2015, Volume 119, Issue 16, pp. 8838 - 8848
Direct,observation of structural, relaxation at molecular scale in network glasses near the glass transition and in the melt is very challenging. Distribution... 
FREE-ENERGY LANDSCAPE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | FLOPPY MODES | TIME | INFRARED-SPECTROSCOPY | T-G | SPATIALLY HETEROGENEOUS DYNAMICS | TRANSITION | SI-29 NMR | SUPERCOOLED O-TERPHENYL | LIQUIDS
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 07/2015, Volume 119, Issue 26, pp. 8340 - 8348
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 08/2015, Volume 119, Issue 34, pp. 11416 - 11427
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 05/2015, Volume 11, Issue 5, pp. 1996 - 2002
We propose a simple yet effective iterative scheme that allows us to employ the well-tempered distribution as a target distribution for the collective... 
FREE-ENERGY LANDSCAPE | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | SIMULATION | EFFICIENT
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 04/2015, Volume 119, Issue 16, pp. 5132 - 5135
Free energy landscapes provide information on the dynamics of proteins and nucleic acid folding, It has been demonstrated that such landscapes can be... 
ATOMIC-FORCE MICROSCOPY | PERSPECTIVE | LANDSCAPE | DYNAMICS | CHEMISTRY, PHYSICAL | JARZYNSKIS EQUALITY | FLUCTUATION THEOREMS | Thermodynamics | DNA - chemistry | Mechanical Phenomena | Poly A - chemistry | Research | Nucleic acids | Protein folding | Gibbs' free energy | Landscapes | Theorems | Force measurement | Pathways | Fluctuation | Folding | Free energy | Stretching
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2011, Volume 32, Issue 10, pp. 2084 - 2096
We present an efficient method for the calculation of free energy landscapes. Our approach involves a history‐dependent bias potential, which is evaluated on a... 
metadynamics | molecular dynamics | grid calculations | free energy landscape | reweighting | MOLECULAR-DYNAMICS | MEAN FORCE | ALGORITHMS | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | AQUEOUS-SOLUTION | MET-ENKEPHALIN | STRING METHOD | TRANSITION PATHWAYS | EFFICIENT | ALANINE DIPEPTIDE | Molecular dynamics | Grid calculations | Metadynamics | Reweighting | Free energy landscape
Journal Article
by Chong, SH and Ham, S
ACCOUNTS OF CHEMICAL RESEARCH, ISSN 0001-4842, 04/2015, Volume 48, Issue 4, pp. 956 - 965
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 04/2015, Volume 119, Issue 16, pp. 5194 - 5207
The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years.... 
DISTRIBUTIONS | FORCE | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATION | SYSTEMS | LANDSCAPES | MOLECULAR-DYNAMICS SIMULATIONS | QUANTUM-MECHANICS | PROTEINS | HISTOGRAM ANALYSIS METHOD | ENTROPY | Thermodynamics | Molecular Conformation | Molecular Dynamics Simulation | Solubility | Water - chemistry | Solvents | Confinement | Solvation | Computer simulation | Mathematical analysis | Biomolecules | Sampling | Free energy
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.