X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (8367) 8367
Publication (583) 583
Book Chapter (166) 166
Conference Proceeding (115) 115
Dissertation (34) 34
Book Review (17) 17
Newsletter (10) 10
Magazine Article (8) 8
Book / eBook (4) 4
Government Document (4) 4
Paper (4) 4
Data Set (1) 1
Trade Publication Article (1) 1
Web Resource (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
molecular mechanics (5169) 5169
chemistry, physical (1705) 1705
molecular-mechanics (1562) 1562
chemistry, multidisciplinary (1484) 1484
index medicus (1372) 1372
analysis (1175) 1175
biochemistry & molecular biology (1136) 1136
models, molecular (1074) 1074
chemistry (1055) 1055
chemistry, organic (973) 973
force-field (944) 944
research (865) 865
molecular dynamics (826) 826
thermodynamics (673) 673
proteins (636) 636
physics, atomic, molecular & chemical (617) 617
computer simulation (614) 614
dynamics (583) 583
biophysics (565) 565
chemistry, inorganic & nuclear (551) 551
crystal-structure (525) 525
molecular structure (505) 505
humans (502) 502
quantum theory (477) 477
ligands (468) 468
chemical properties (434) 434
molecular dynamics simulation (431) 431
hydrocarbons (391) 391
molecular conformation (389) 389
simulation (387) 387
binding (386) 386
conformational analysis (373) 373
binding sites (370) 370
usage (364) 364
molecular mechanics calculations (361) 361
animals (345) 345
chemistry, medicinal (345) 345
mm3 force-field (345) 345
protein conformation (339) 339
spectroscopy (335) 335
ab-initio (330) 330
quantum mechanics/molecular mechanics (330) 330
hydrogen bonding (328) 328
conformational-analysis (327) 327
complexes (325) 325
density-functional theory (318) 318
materials science, multidisciplinary (311) 311
mechanics (309) 309
computer science, interdisciplinary applications (300) 300
protein binding (298) 298
model (294) 294
derivatives (287) 287
simulations (275) 275
catalysis (269) 269
models (269) 269
crystallography (263) 263
structure (263) 263
article (261) 261
energy (260) 260
nmr (259) 259
conformation (255) 255
models, chemical (254) 254
quantum mechanics (249) 249
aqueous-solution (234) 234
structure-activity relationship (232) 232
kinetics (231) 231
polymer science (228) 228
molecular-dynamics (225) 225
physical chemistry (220) 220
enzymes (217) 217
magnetic resonance spectroscopy (211) 211
water (211) 211
nucleic-acids (210) 210
crystallography, x-ray (206) 206
organic chemistry (204) 204
solvation (204) 204
density functional theory (203) 203
peptides (202) 202
algorithms (198) 198
mathematical models (197) 197
drug design (192) 192
molecular sequence data (192) 192
biochemistry (188) 188
multidisciplinary sciences (188) 188
molecular modeling (186) 186
protein (186) 186
mathematical analysis (179) 179
pharmacology & pharmacy (176) 176
nanoscience & nanotechnology (175) 175
crystal structure (173) 173
nanotubes (173) 173
dna (172) 172
stereoisomerism (172) 172
computational chemistry (167) 167
amino acid sequence (164) 164
biology (164) 164
molecular-dynamics simulations (164) 164
molecules (164) 164
parameters (163) 163
design (161) 161
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (8196) 8196
Japanese (200) 200
Chinese (146) 146
German (31) 31
Russian (27) 27
French (19) 19
Portuguese (14) 14
Korean (4) 4
Spanish (3) 3
Croatian (2) 2
Indonesian (2) 2
Lithuanian (2) 2
Hungarian (1) 1
Swedish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of General Physiology, ISSN 0022-1295, 05/2016, Volume 147, Issue 5, p. 423
Ae4 (Slc4a9) belongs to the Slc4a family of Cl/HCO exchangers and Na-HCO cotransporters, but its ion transport cycle is poorly understood. In this study, we... 
Molecular mechanics | Research
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2012, Volume 8, Issue 9, pp. 3314 - 3321
MM-PBSA is a post-processing end-state method to calculate free energies of molecules in solution. MMPBSA.py is a program written in Python for streamlining... 
CONTINUUM SOLVENT | DOCKING | DNA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | QM/MM | BINDING | MOLECULAR-MECHANICS
Journal Article
Applied Physics Letters, ISSN 0003-6951, 12/2005, Volume 87, Issue 25, pp. 251929 - 251929-3
An analytical molecular mechanics model is established to relate the chirality- and size-dependent elastic properties of a single-walled carbon nanotube to its... 
MOLECULAR-MECHANICS MODEL | PHYSICS, APPLIED
Journal Article
Nature, ISSN 0028-0836, 01/2015, Volume 517, Issue 7534, p. 283
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 02/2016, Volume 138, Issue 4, pp. 1320 - 1327
We recently demonstrated that N 2 reduction by nitrogenase involves the obligatory release of one H 2 per N 2 reduced. These studies focused on the E 4 (4H)... 
Molecular mechanics | Iron compounds | Chemical properties | Optical properties | Analysis
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 06/2016, Volume 120, Issue 25, pp. 5720 - 5723
An exciting development in statistical mechanics has been the elucidation of a series of surprising equalities involving the work done during a nonequilibrium... 
CHEMISTRY, PHYSICAL | Brownian motion | Molecular mechanics | Analysis
Journal Article
Journal of Experimental Biology, ISSN 0022-0949, 08/2017, Volume 220, Issue 15, p. 2701
Journal Article
NATURE NANOTECHNOLOGY, ISSN 1748-3387, 10/2007, Volume 2, Issue 10, pp. 640 - 646
Solubilizing and purifying carbon nanotubes remains one of the foremost technological hurdles in their investigation and application. We report a dramatic... 
CONJUGATED POLYMERS | FLUORESCENCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | AQUEOUS SUSPENSION | MOLECULAR-MECHANICS | ELECTRONIC-STRUCTURE | DEPENDENCE
Journal Article
ACS Nano, ISSN 1936-0851, 09/2016, Volume 10, Issue 9, pp. 8517 - 8525
Scanning tunneling microscopy and atomic force microscopy can provide detailed information about the geometric and electronic structure of molecules with... 
single molecule | AFM | CO tip | Xe tip | DFT | molecular mechanics
Journal Article
Nature Methods, ISSN 1548-7091, 02/2019, Volume 16, Issue 2, pp. 144 - 144
Journal Article
10/2013
Metallic iron filings have been increasingly used in permeable reactive barriers for remediating groundwater contaminated by chlorinated solvents.... 
Molecular mechanics | Groundwater | Tetrachloroethylene | Trichloroethylene | Universal force field | Zerovalent iron | Reductive dechlorination
Web Resource
Journal of Molecular Structure, ISSN 0022-2860, 12/2019, Volume 1197, pp. 56 - 64
Structure determination of the inclusion complexes of Xylazine (XYL) as the guest molecule with α-, HP-β- and γ-cyclodextrins (CDs) as host molecules was taken... 
Molecular dynamics studies | Xylazine | Cyclodextrins | 2D ROESY | Molecular mechanics studies
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 07/2015, Volume 48, Issue 7, pp. 1938 - 1946
CONSPECTUS: The assembly of complex structures from simpler, individual units is a hallmark of biology. Examples include the pairing of DNA strands, the... 
AUTONOMOUS MOVEMENT | MICROMOTORS | ULTRASOUND | PARTICLES | CATALYTIC NANOMOTORS | CHEMOTAXIS | NANOWIRE MOTORS | DRIVEN | GRADIENTS | CHEMISTRY, MULTIDISCIPLINARY | PROPULSION | Thermal properties | Molecular mechanics | Chemical properties | Research | Colloids | Electric properties
Journal Article
Chemical Reviews, ISSN 0009-2665, 2015, Volume 115, Issue 15, pp. 7304 - 7397
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2012, Volume 134, Issue 2, pp. 897 - 900
Tubular polyaniline (PANI)/Zn microrockets are described that display effective autonomous motion in extreme acidic environments, without any additional... 
TRANSPORT | NANOROBOTS | EVOLUTION | MICROENGINES | NANOWIRE MOTORS | NANOMOTORS | NANOMACHINES | CHEMISTRY, MULTIDISCIPLINARY | ALLOY POWDER | PROPULSION | DELIVERY | Molecular mechanics | Measurement | Aniline | Chemical properties | Research | Hydrogen-ion concentration | Zinc | Methods
Journal Article
Chemical Reviews, ISSN 0009-2665, 2015, Volume 115, Issue 15, pp. 7240 - 7303
Journal Article
No results were found for your search.

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