FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules. (Record no. 30468960)

MARC details
000 -LEADER
fixed length control field 01086 a2200289 4500
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250518075645.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 202106s 0 0 eng d
022 ## - INTERNATIONAL STANDARD SERIAL NUMBER
International Standard Serial Number 1096-987X
024 7# - OTHER STANDARD IDENTIFIER
Standard number or code 10.1002/jcc.26138
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 Kumar, Anmol
264 #0 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Date of production, publication, distribution, manufacture, or copyright notice 20210603
245 00 - TITLE STATEMENT
Title FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules.
Medium [electronic resource]
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Name of publisher, distributor, etc. Journal of computational chemistry
Date of publication, distribution, etc. 04 2020
300 ## - PHYSICAL DESCRIPTION
Extent 958-970 p.
Other physical details digital
500 ## - GENERAL NOTE
General note Publication Type: Journal Article; Research Support, N.I.H., Extramural
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Algorithms
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 Molecular Structure
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Monte Carlo Method
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Small Molecule Libraries
General subdivision chemistry
650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Software
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Yoluk, Ozge
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name MacKerell, Alexander D
773 0# - HOST ITEM ENTRY
Title Journal of computational chemistry
Related parts vol. 41
-- no. 9
-- p. 958-970
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://doi.org/10.1002/jcc.26138">https://doi.org/10.1002/jcc.26138</a>
Public note Available from publisher's website

No items available.