Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration. (Record no. 22898990)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01512 a2200409 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250516160438.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 201403s 0 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| International Standard Serial Number | 1549-960X |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1021/ci400178h |
| Source of number or code | doi |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | NLM |
| Language of cataloging | eng |
| Transcribing agency | NLM |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Tosso, Rodrigo D |
| 264 #0 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | 20140321 |
| 245 00 - TITLE STATEMENT | |
| Title | Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration. |
| Medium | [electronic resource] |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Name of publisher, distributor, etc. | Journal of chemical information and modeling |
| Date of publication, distribution, etc. | Aug 2013 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 2018-32 p. |
| Other physical details | digital |
| 500 ## - GENERAL NOTE | |
| General note | Publication Type: Journal Article; Research Support, Non-U.S. Gov't |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Electrons |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Folic Acid Antagonists |
| General subdivision | pharmacology |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Humans |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Molecular Dynamics Simulation |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Protein Conformation |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Quantum Theory |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Reproducibility of Results |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Tetrahydrofolate Dehydrogenase |
| General subdivision | chemistry |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Thermodynamics |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Andujar, Sebastian A |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Gutierrez, Lucas |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Angelina, Emilio |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Rodríguez, Ricaurte |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Nogueras, Manuel |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Baldoni, Héctor |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Suvire, Fernando D |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Cobo, Justo |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Enriz, Ricardo D |
| 773 0# - HOST ITEM ENTRY | |
| Title | Journal of chemical information and modeling |
| Related parts | vol. 53 |
| -- | no. 8 |
| -- | p. 2018-32 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1021/ci400178h">https://doi.org/10.1021/ci400178h</a> |
| Public note | Available from publisher's website |
No items available.