Current Computer-Aided Drug Design
Volume 18, 7 Issues, 2022
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
Contents
Current Computer-Aided Drug Design , Volume 9 - Number 1
Editorial
Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly
, 9(1): 2 - 14Seema Bag, Rekha Tulsan, Abha Sood, Silpi Datta and Marianna Torok
DOI: 10.2174/1573409911309010002
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design
, 9(1): 15 - 34Jacopo Sgrignani and Alessandra Magistrato
DOI: 10.2174/1573409911309010003
Cycloxygenase-2 (COX-2) - A Potential Target for Screening of Small Molecules as Radiation Countermeasure Agents: An In Silico Study
, 9(1): 35 - 45Jayadev Joshi, Tapan K. Barik, Nitisha Shrivastava, Manali Dimri, Subhajit Ghosh, Rahul S. Mandal, Srinivasan Ramachandran and Indracanti P. Kumar
DOI: 10.2174/1573409911309010004
Efficacy Prediction of Jamu Formulations by PLS Modeling
, 9(1): 46 - 59Farit M. Afendi, Latifah K. Darusman, Aki Hirai Morita, Md. Altaf-Ul-Amin, Hiroki Takahashi, Kensuke Nakamura, Ken Tanaka and Shigehiko Kanaya
DOI: 10.2174/1573409911309010005
Structure-Based Development of Antagonists for Chemokine Receptor CXCR4
, 9(1): 60 - 75Chongqian Zhang, Tingjun Hou, Zhiwei Feng and Youyong Li
DOI: 10.2174/1573409911309010006
Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System
, 9(1): 76 - 82P.K. Krishnan Namboori, U.P. Ranjini, Asha A. Manakadan, Anila Jose, K.S. Silvipriya, N. Belzik and O.M. Deepak
DOI: 10.2174/1573409911309010007
Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software
, 9(1): 83 - 94Tania Pencheva, Dessislava Jereva, Maria A. Miteva and Ilza Pajeva
DOI: 10.2174/1573409911309010008
QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
, 9(1): 95 - 107Feng Luan, Xuan Xu, Maria Natalia Dias Soeiro Cordeiro, Huitao Liu and Xiaoyun Zhang
DOI: 10.2174/1573409911309010009
Biomedical Data Integration in Computational Drug Design and Bioinformatics
, 9(1): 108 - 117Jose A. Seoane, Vanessa Aguiar-Pulido, Cristian R. Munteanu, Daniel Rivero, Juan R. Rabunal, Julian Dorado and Alejandro Pazos
DOI: 10.2174/15734099112089990011
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines
, 9(1): 118 - 129Pathik S. Brahmkshatriya, Petr Dobes, Jindrich Fanfrlik, Jan Rezac, Kamil Paruch, Agnieszka Bronowska, Martin Lepsík and Pavel Hobza
DOI: 10.2174/1573409911309010011
Artificial Neural Networks Based on CODES Descriptors in Pharmacology: Identification of Novel Trypanocidal Drugs against Chagas Disease
, 9(1): 130 - 140Angela Guerra, Pedro Gonzalez-Naranjo, Nuria E. Campillo, Hugo Cerecetto, Mercedes Gonzalez and Juan A. Paez
DOI: 10.2174/1573409911309010012
QSAR Study of Curcumine Derivatives as HIV-1 Integrase Inhibitors
, 9(1): 141 - 150Pawan Gupta, Anju Sharma, Prabha Garg and Nilanjan Roy
DOI: 10.2174/1573409911309010013
Editor-in-Chief
Dong-Qing Wei
(11801 citations)
State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology
Shanghai Jiao Tong University
Shanghai
(China)
Biography
(11801 citations)
State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology
Shanghai Jiao Tong University
Shanghai
Biography
Biography of Dong-Qing Wei
Dr. Dong-Qing Wei is a Professor at College of Life Science, Shanghai Jiaotong University, China. Over the past 40 decades, he has made many great contributions to the development of bioinformatics/AI drug design techniques and their interdisciplinary applications to systems of ever-increasing complexity. His most important contributions in sciences are exemplified by the discovery of ferroelectric nematic liquids crystals, elucidating the molecular mechanism of explosion reactions by the ab initio MD simulation, and discovery of anti-aging and anti-AD drug candidate WGX-50. He has published more than 600 papers, 10 monographs with 11000 SCI citations. He has attended more than 100 conferences for plenary talks and have organized more than 20 national and international conferences.
About the Journal
⇨ Journal Home⇨ Editorial Policies⇨ Fabricating and Stating False Information⇨ Research Misconduct⇨ Post Publication Discussions and Corrections⇨ Allegations from Whistleblowers⇨ Editorial Board⇨ Meet the Executive Guest Editor(s)⇨ Board Recruitment Workflow⇨ Short Guide⇨ Join Editorial Board⇨ Indexing Information⇨ Announcements⇨ Endorsements⇨ Authors' Comments
For Authors
For Librarians & Readers
Quick Links
Advertisement
Webmaster Contact: info@benthamscience.net