Literature DB >> 18975926

The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery.

Johannes Kirchmair1, Patrick Markt, Simona Distinto, Daniela Schuster, Gudrun M Spitzer, Klaus R Liedl, Thierry Langer, Gerhard Wolber.   

Abstract

Mesh：

Year:  2008        PMID： 18975926     DOI： 10.1021/jm8005977

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


× No keyword cloud information.
  27 in total

1.  Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors.

Authors:  Isaac T Schiefer; Subhasish Tapadar; Vladislav Litosh; Marton Siklos; Rob Scism; Gihani T Wijewickrama; Esala P Chandrasena; Vaishali Sinha; Ehsan Tavassoli; Michael Brunsteiner; Mauro Fa'; Ottavio Arancio; Pavel Petukhov; Gregory R J Thatcher
Journal:  J Med Chem       Date:  2013-07-22       Impact factor: 7.446

2.  A chimeric SERM-histone deacetylase inhibitor approach to breast cancer therapy.

Authors:  Hitisha K Patel; Marton I Siklos; Hazem Abdelkarim; Emma L Mendonca; Aditya Vaidya; Pavel A Petukhov; Gregory R J Thatcher
Journal:  ChemMedChem       Date:  2013-08-16       Impact factor: 3.466

3.  Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds.

Authors:  Yanmin Zhang; Yu Jiao; Xiao Xiong; Haichun Liu; Ting Ran; Jinxing Xu; Shuai Lu; Anyang Xu; Jing Pan; Xin Qiao; Zhihao Shi; Tao Lu; Yadong Chen
Journal:  Mol Divers       Date:  2015-05-29       Impact factor: 2.943

4.  Structural and energetic insights into sequence-specific interaction in DNA-drug recognition: development of affinity predictor and analysis of binding selectivity.

Authors:  Jingheng Ning; Weiwei Chen; Jiaojiao Li; Zaixi Peng; Jianhui Wang; Zhong Ni
Journal:  J Mol Model       Date:  2012-12-29       Impact factor: 1.810

5.  A novel, customizable and optimizable parameter method using spherical harmonics for molecular shape similarity comparisons.

Authors:  Chaoqian Cai; Jiayu Gong; Xiaofeng Liu; Hualiang Jiang; Daqi Gao; Honglin Li
Journal:  J Mol Model       Date:  2011-07-30       Impact factor: 1.810

6.  Insights from comprehensive multiple receptor docking to HDAC8.

Authors:  Michael Brunsteiner; Pavel A Petukhov
Journal:  J Mol Model       Date:  2012-03-20       Impact factor: 1.810

7.  Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors.

Authors:  Xiu-Mei Chen; Tao Lu; Shuai Lu; Hui-Fang Li; Hao-Liang Yuan; Ting Ran; Hai-Chun Liu; Ya-Dong Chen
Journal:  J Mol Model       Date:  2009-12-18       Impact factor: 1.810

8.  Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets.

Authors:  Rand Shahin; Lubna Swellmeen; Omar Shaheen; Nour Aboalhaija; Maha Habash
Journal:  J Comput Aided Mol Des       Date:  2015-12-19       Impact factor: 3.686

9.  A combined bioinformatics and chemoinformatics approach for developing asymmetric bivalent AMPA receptor positive allosteric modulators as neuroprotective agents.

Authors:  Haijun Chen; Cheng Z Wang; Chunyong Ding; Christopher Wild; Bryan Copits; Geoffrey T Swanson; Kenneth M Johnson; Jia Zhou
Journal:  ChemMedChem       Date:  2012-12-20       Impact factor: 3.466

10.  seeMotif: exploring and visualizing sequence motifs in 3D structures.

Authors:  Darby Tien-Hao Chang; Ting-Ying Chien; Chien-Yu Chen
Journal:  Nucleic Acids Res       Date:  2009-05-28       Impact factor: 16.971
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.