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6 research outputs found
Quantum chemical computations of electronic properties and drug activity of a naturally occurring dihydrocadambine biomolecule
Author
Agren
Andraud
+43 more
Arjunan
Barone
Becke
Briquet
Brown
Chen
Cosconati
Dennington
Ditchfield
Dodds
Dwevedi
Forli
Geskin
Hawkins
Kleinman
Lee
Lewis
Li
London
Lucie
Luque
Mcweeny
Merrick
Mishra
Mishra
Mishra
Mishra
Mishra
Morris
Oh
Padmanabhan
Pearson
Pearson
Sasaki
Scrocco
Scrocco
Srivastava
Sundaraganesan
Taşal
Timofeev
Wolinski
Zhenminga
Zhongqiang
Publication venue
'Elsevier BV'
Publication date
01/01/2020
Field of study
No full text
Crossref
Exploring multidimensional applications of natural bioactive molecule isodihydrocadambine-4-oxide: DFT approach
Author
Andraud
Barone
+37 more
Becke
Belletete
Chen
Cosconati
Dennington
Forli
Frisch
Geskin
Hawkins
Kleinman
Kohn
Lee
Lewis
Li
Lucie
Luque
Mishra
Mishra
Mishra
Mishra
Mishra
Morris
Oh
Parr
Pearson
Pearson
Sasaki
Sasaki
Scrocco
Scrocco
Silversten
Srivastava
Taşal
Timofeev
Young
Zhenminga
Zhongqiang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
3,5,7-Trimethoxyphenanthrene-1,4-dione: a new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties
Author
Allen
Arirazhagan
+76 more
Arjunan
Arjunan
Armarego
Bader
Becke
Belletete
Bernstein
Biswas
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Brahmachari
Chakravari
Chaturvedi
Chopra
Cockerill
Espinosa
Etter
Farrugia
Farrugia
Fricker
Grosdidier
Honda
Jamroz
Kalinowski
Kovács
Kumar
Kuo
Lee
Lee
Lee
Lee
Lewis
Li
Lin
Luqul
Madhusudan
Masuda
Merrick
Mukherjee
Mukherjee
Mukherjee
Nardelli
Parr
Rajaraman
Rajaraman
Riedel
Roy
Rozas
Santour
Schlick
Scrocco
Scrocco
Sheldrick
Silverstein
Smith
Spek
Sritularak
Srivastava
Srivastava
Srivastava
Srivastava
Srivastava
Srivastava
Sundaraganesan
Tezuka
Udaya Bhaskar
Wij
Yang
Zhenminga
Publication venue
'Royal Society of Chemistry (RSC)'
Publication date
01/01/2016
Field of study
No full text
Crossref
Molecular structure, spectroscopic properties, NLO and NBO analysis of 3,4-Lutidine and [Ag(3,4-Lutidine)2NO3] complex
Author
Abdel-Latif
Abu-Youssef
+56 more
Abu-Youssef
Abu-Youssef
Abu-Youssef
Ahmad
Akhavein
Ali
Amr
Amr
Asiria
Azab
Bahekar
Basnet
Belletete
Boldeskul
Bond
Budeŝinsky
Buttelmann
Chapela
Chavan
Cocco
Criado
Desiraju
Destexhe
Djokic
Frisch
Fu
Grabowski
Gu
Guo
Herzigova
Hobza
Kazachenko
Keith
Kumar
Lambert
Legler
Leonard
Li
Li
Lourenco
Massoud
McCann
Muchall
Nakamoto
Onnis
Percino
Pinchas
Saied M. Soliman
Schneider
Scott
Singh
Stillman
Trudeau
Willemann
Yar
Zhenminga
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
DFT analysis on spectral and NLO properties of (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-2-yl) prop-2-en-1-one; a d-π-A chalcone derivative and its docking studies as a potent hepatoprotective agent
Author
Alston
Arul Dhas
+64 more
Assem
Basanth
Becke
Belletete
Bo
Buryova
Chiaradia
Chunlin
Custodio
Dhar
Dietchfield
Domitrović
Ekins
Ethiraj
Fleming
Fogarasi
Frisch
Gan
Hermenean
Hu
Jeffrey
Kaliyaperumal
Kandagatla
Kiran
Kleinman
Kolinsky
Krishnakumar
Kurtz
Lakshmi
Lill
Lin
Luis
Maria
Morris
Murray
Omar
Prasad
Prasad
Premila Rachelin
Rajat
Rajesh Kumar
Ravikumar
Ravindra
Rawat
Rimai
Roeges
Roy
Santosh
Sathiya Moorthi
Scrocco
Shaik
Shi
Si-Ping
Silverstein
Singh
Snehalatha
Sweety
Varsanyi
Wang
Xing
Yang
Yusuf
Zhenminga
Zhou
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Computer-aided identification of lead compounds as Staphylococcal epidermidis FtsZ inhibitors using molecular docking, virtual screening, DFT analysis, and molecular dynamic simulation
Author
AH Katherine
AN Queiroz
+46 more
AR Leach
C Vuong
CA Lipinski
D Shivakumar
D Zhenminga
DJ Haydon
ER Johnson
G Gece
GA Kaminski
Garrett M. Morris
GJ Martyna
Glenn J. Martyna
GM Morris
GM Sastry
GN Ramachandran
HY Wang
J Dong
J Matysiak
J. Errington
JP Hughes
JU Bowie
L Romberg
M Otto
M Sabaté Brescó
Mohammed Afzal Azam
MP Jacobson
MY Lobanov
RA Friesner
RA Friesner
RH Lyles
S Ohtsuki
S Sakkiah
S Tripathy
SL Dixon
Srikanth Jupudi
Susanta Kumar Sahu
Swayansiddha Tripathy
T Debnath
T Halgren
T Hou
TH Nguyen
W Shinoda
WL Jorgensen
Y Lu
Z Yu
ZK Genc
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref