II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands. (Record no. 26032834)

MARC details
000 -LEADER
fixed length control field 01360 a2200361 4500
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250517094918.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 201801s 0 0 eng d
022 ## - INTERNATIONAL STANDARD SERIAL NUMBER
International Standard Serial Number 1463-9084
024 7# - OTHER STANDARD IDENTIFIER
Standard number or code 10.1039/c5cp05521k
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 Nerattini, Francesca
264 #0 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Date of production, publication, distribution, manufacture, or copyright notice 20180102
245 00 - TITLE STATEMENT
Title II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands.
Medium [electronic resource]
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Name of publisher, distributor, etc. Physical chemistry chemical physics : PCCP
Date of publication, distribution, etc. 06 2016
300 ## - PHYSICAL DESCRIPTION
Extent 15005-18 p.
Other physical details digital
500 ## - GENERAL NOTE
General note Publication Type: Journal Article
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Calcineurin Inhibitors
General subdivision metabolism
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Drug Discovery
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 Immunosuppressive Agents
General subdivision metabolism
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Ligands
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 Point Mutation
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Protein Binding
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 Tacrolimus
General subdivision metabolism
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Tacrolimus Binding Protein 1A
General subdivision antagonists & inhibitors
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Thermodynamics
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Chelli, Riccardo
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Procacci, Piero
773 0# - HOST ITEM ENTRY
Title Physical chemistry chemical physics : PCCP
Related parts vol. 18
-- no. 22
-- p. 15005-18
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://doi.org/10.1039/c5cp05521k">https://doi.org/10.1039/c5cp05521k</a>
Public note Available from publisher's website

No items available.