X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (1185) 1185
Publication (37) 37
Dissertation (10) 10
Book Chapter (7) 7
Conference Proceeding (7) 7
Paper (2) 2
Book Review (1) 1
Web Resource (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
comsia (994) 994
comfa (895) 895
3d-qsar (559) 559
quantitative structure-activity relationship (499) 499
chemistry, medicinal (409) 409
index medicus (398) 398
models, molecular (362) 362
biochemistry & molecular biology (295) 295
chemistry, multidisciplinary (293) 293
docking (277) 277
analysis (276) 276
binding (266) 266
qsar (255) 255
derivatives (235) 235
molecular docking (234) 234
humans (232) 232
drug design (210) 210
inhibitors (202) 202
computer science, interdisciplinary applications (191) 191
molecular structure (175) 175
analysis comsia (161) 161
design (155) 155
ligands (155) 155
chemistry (143) 143
molecular-field analysis (139) 139
3d qsar (133) 133
binding sites (129) 129
molecular similarity indexes (125) 125
discovery (122) 122
computer simulation (117) 117
protein binding (112) 112
potent (109) 109
validation (109) 109
field analysis (106) 106
cancer (104) 104
hydrogen bonding (102) 102
biochemistry, general (100) 100
models (100) 100
biophysics (98) 98
chemistry, organic (97) 97
enzyme inhibitors - chemistry (97) 97
cell biology (96) 96
pharmacology/toxicology (96) 96
molecular conformation (90) 90
biomedicine (88) 88
pharmacology & pharmacy (84) 84
molecular docking simulation (77) 77
biological-activity (76) 76
mathematical & computational biology (76) 76
static electricity (76) 76
enzyme inhibitors - pharmacology (74) 74
hydrophobic and hydrophilic interactions (74) 74
computer applications in chemistry (71) 71
pharmacophore (69) 69
similarity indexes (66) 66
crystallography (65) 65
animals (64) 64
hqsar (64) 64
comparative molecular field analysis (62) 62
identification (62) 62
proteins (61) 61
partial least-squares (60) 60
protein kinase inhibitors - chemistry (56) 56
biochemical research methods (55) 55
biological evaluation (55) 55
environmental sciences (55) 55
molecular dynamics simulation (55) 55
structure-activity relationships (55) 55
molecular dynamics (54) 54
chemistry, physical (53) 53
field (53) 53
quantitative structure (53) 53
models, chemical (52) 52
comparative molecular similarity indices analysis (51) 51
article (49) 49
field analysis comfa (47) 47
inhibitory concentration 50 (47) 47
regression (47) 47
toxicology (46) 46
algorithms (45) 45
analogs (44) 44
biology (44) 44
computer appl. in life sciences (44) 44
life sciences, general (44) 44
prediction (44) 44
protein kinase inhibitors - pharmacology (44) 44
agents (43) 43
antineoplastic agents - chemistry (43) 43
hydrogen (43) 43
molecular medicine (43) 43
pharmacy (42) 42
biomedicine general (41) 41
catalytic domain (41) 41
drug discovery (41) 41
health informatics (41) 41
mathematical models (41) 41
force-field (40) 40
physical chemistry (40) 40
enzymes (39) 39
protein conformation (39) 39
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (1160) 1160
Chinese (28) 28
Korean (14) 14
Croatian (3) 3
French (3) 3
German (3) 3
Portuguese (2) 2
Spanish (2) 2
Romanian (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 2019, p. 1
The hepatitis C virus (HCV)-infected population has continued to grow during recent years, and novel HCV antiviral agents are urgently needed. In this work, a... 
benzimidazole | molecular dynamics | NS5B | CoMFA | CoMSIA
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 01/2020, Volume 1199, p. 126961
Histone deacetylases (HDACs) as the promising therapeutic targets for the treatment of cancer and other diseases, modify chromatin structure and contribute to... 
2-AminoBenzamide | Histone deacetylase inhibitors | CoMFA-RF | HQSAR | CoMFA | CoMSIA
Journal Article
Chemical Biology & Drug Design, ISSN 1747-0277, 05/2019, Volume 93, Issue 5, pp. 910 - 925
Human histone deacetylase isoform 6 (HDAC6) has been shown to have an immense role in cell motility and aggresome formation and is being an attractive... 
HDAC6 inhibitors | molecular docking | molecular dynamics | CoMFA | CoMSIA | HDAC INHIBITORS | CELLS | DESIGN | CHEMISTRY, MEDICINAL | BIOCHEMISTRY & MOLECULAR BIOLOGY | SCORING FUNCTION | ANALYSIS COMSIA | DERIVATIVES | Molecular dynamics | Comparative analysis
Journal Article
Journal of Applied Pharmaceutical Science, 06/2019, Volume 9, Issue 6, pp. 1 - 9
Journal Article
Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 07/2019, Volume 37, Issue 11, pp. 2999 - 3006
A series of 26 selective COX-2 inhibitors which reported previously by our laboratory was selected to generate three-dimensional quantitative structure... 
COX-2 inhibitors | thiazinan-4-one | CoMFA-RG | hydroquinoline | docking study | CoMFA | CoMSIA
Journal Article
by Wang, B and Liu, M.M and Wang, B.W and Li, J and Shu, M and Lin, Z.H
Indian Journal of Pharmaceutical Sciences, ISSN 0250-474X, 01/2018, Volume 80, Issue 1, pp. 65 - 78
Journal Article
Chemosphere, ISSN 0045-6535, 02/2020, Volume 240, p. 124789
Poly- and perfluorinated compounds (PFCs) may induce potential endocrine-disrupting hormonal effects. However, the molecular mechanism of the toxicology of... 
hPXR | PFCs | Cell-based reporter gene assays | HM-BSM | QSAR | CoMSIA
Journal Article
Journal of Enzyme Inhibition and Medicinal Chemistry, ISSN 1475-6366, 03/2016, Volume 31, Issue 2, pp. 283 - 294
Journal Article
Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 03/2019, Volume 37, Issue 5, pp. 1120 - 1135
Journal Article
Molecular Diversity, ISSN 1381-1991, 2019
Aminopeptidase M1 (PfAM1) is one of the key enzymes involved in the development of new antimalarials. To accelerate the discovery of inhibitors with selective... 
Aminopeptidase | Molecular docking | 2D-QSAR | CoMFA | CoMSIA
Journal Article
Letters in Drug Design and Discovery, ISSN 1570-1808, 2017, Volume 14, Issue 1, pp. 74 - 82
Journal Article
Journal of the Taiwan Institute of Chemical Engineers, ISSN 1876-1070, 02/2016, Volume 59, pp. 61 - 68
HIV integrase enzyme is well established potential target for antiretroviral therapy since a decade. Resistance to drugs (Raltegravir and Elvitegravir) used as... 
HIV-integrase enzyme | MOLCAD | Molecular docking | CoMFA | CoMSIA
Journal Article
International Journal of ChemTech Research, ISSN 0974-4290, 2016, Volume 9, Issue 5, pp. 896 - 903
Journal Article
International Journal of Pharmacy and Pharmaceutical Sciences, 2014, Volume 6, Issue 9, pp. 205 - 212
Journal Article
Journal of Applied Pharmaceutical Science, 11/2018, Volume 8, Issue 11, pp. 15 - 27
Journal Article
No results were found for your search.

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