Volume 71

Main
Methods
Volume 71

Methods

Volume 71

1

Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

Vrontaki, Eleni, Melagraki, Georgia, Mavromoustakos, Thomas, Afantitis, Antreas

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 2.71 MB

english, 2015

2

Hierarchical virtual screening approaches in small molecule drug discovery

Kumar, Ashutosh, Zhang, Kam Y.J.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 2.36 MB

english, 2015

3

Tools for in silico target fishing

Cereto-Massagué, Adrià, Ojeda, María José, Valls, Cristina, Mulero, Miquel, Pujadas, Gerard, Garcia-Vallve, Santiago

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 509 KB

english, 2015

4

Virtual screening: An in silico tool for interlacing the chemical universe with the proteome

Westermaier, Yvonne, Barril, Xavier, Scapozza, Leonardo

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2015

5

Molecular fingerprint similarity search in virtual screening

Cereto-Massagué, Adrià, Ojeda, María José, Valls, Cristina, Mulero, Miquel, Garcia-Vallvé, Santiago, Pujadas, Gerard

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 646 KB

english, 2015

6

Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling

Vuorinen, Anna, Schuster, Daniela

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 3.28 MB

english, 2015

7

A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

Fidom, Kimberley, Isberg, Vignir, Hauser, Alexander S., Mordalski, Stefan, Lehto, Thomas, Bojarski, Andrzej J., Gloriam, David E.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2015

8

Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors

Hoi, Pui Man, Li, Shang, Vong, Chi Teng, Tseng, Hisa Hui Ling, Kwan, Yiu Wa, Lee, Simon Ming-Yuen

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 501 KB

english, 2015

9

Virtual screening in small molecule discovery for epigenetic targets

Li, Guo-Bo, Yang, Ling-Ling, Yuan, Yiming, Zou, Jun, Cao, Yu, Yang, Sheng-Yong, Xiang, Rong, Xiang, Mingli

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 802 KB

english, 2015

10

Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening

Du, Hongying, Brender, Jeffrey R., Zhang, Jian, Zhang, Yang

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2015

11

Discovery of deoxyvasicinone derivatives as inhibitors of NEDD8-activating enzyme

Zhong, Hai-Jing, Leung, Ka-Ho, Lin, Sheng, Chan, Daniel Shiu-Hin, Han, Quan-Bin, Chan, Sharon Lai-Fung, Ma, Dik-Lung, Leung, Chung-Hang

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2015

12

Discovery of a small-molecule inhibitor of STAT3 by ligand-based pharmacophore screening

Leung, Ka-Ho, Liu, Li-Juan, Lin, Sheng, Lu, Lihua, Zhong, Hai-Jing, Susanti, Dewi, Rao, Weidong, Wang, Modi, Che, Weng Ian, Chan, Daniel Shiu-Hin, Leung, Chung-Hang, Chan, Philip Wai Hong, Ma, Dik-Lun

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 971 KB

english, 2015

13

Structure based virtual screening to discover putative drug candidates: Necessary considerations and successful case studies

Danishuddin, Mohd, Khan, Asad U.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 814 KB

english, 2015

14

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening

Xia, Jie, Tilahun, Ermias Lemma, Reid, Terry-Elinor, Zhang, Liangren, Wang, Xiang Simon

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.36 MB

english, 2015

15

Virtual screening strategies: Recent advances in the identification and design of anti-cancer agents

Kumar, Vikash, Krishna, Shagun, Siddiqi, Mohammad Imran

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 482 KB

english, 2015

16

In silico identification of natural product inhibitors of JAK2

Zhong, Hai-Jing, Lin, Sheng, Tam, I Lam, Lu, Lihua, Chan, Daniel Shiu-Hin, Ma, Dik-Lung, Leung, Chung-Hang

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2015

17

Pharmacophore modeling for the identification of small-molecule inhibitors of TACE

Liu, Li-Juan, Leung, Ka-Ho, Lin, Sheng, Chan, Daniel Shiu-Hin, Susanti, Dewi, Rao, Weidong, Chan, Philip Wai Hong, Ma, Dik-Lung, Leung, Chung-Hang

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 928 KB

english, 2015

18

Recent advances in virtual screening for drug discovery

Leung, Chung-Hang, Ma, Dik-Lung

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 252 KB

english, 2015

19

Cover 1

Journal:

Année:

2015

Fichier:

PDF, 291 KB

2015

20

3D virtual screening of large combinatorial spaces

Muegge, Ingo, Zhang, Qiang

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2015

21

Editorial Board

Journal:

Année:

2015

Fichier:

PDF, 28 KB

2015