相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Opioid Receptors and Protonation-Coupled Binding of Opioid Drugs
Samo Lesnik et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)
Prediction of pharmacological activities from chemical structures with graph convolutional neural networks
Miyuki Sakai et al.
SCIENTIFIC REPORTS (2021)
Epidemiology and Burden of Human Papillomavirus and Related Diseases, Molecular Pathogenesis, and Vaccine Evaluation
Arnaud John Kombe Kombe et al.
FRONTIERS IN PUBLIC HEALTH (2021)
Predicting the membrane permeability of organic fluorescent probes by the deep neural network based lipophilicity descriptor DeepFl-LogP
Kareem Soliman et al.
SCIENTIFIC REPORTS (2021)
Baricitinib as potential treatment for 2019-nCoV acute respiratory disease
Peter Richardson et al.
LANCET (2020)
Human Papillomavirus Vaccines: An Updated Review
Liqin Cheng et al.
VACCINES (2020)
Discovery of Dual FGFR4 and EGFR Inhibitors by Machine Learning and Biological Evaluation
Xingye Chen et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Quantitative Structure-Activity Relationship Machine Learning Models and their Applications for Identifying Viral 3CLpro-and RdRp-Targeting Compounds as Potential Therapeutics for COVID-19 and Related Viral Infections
Julian Ivanov et al.
ACS OMEGA (2020)
Machine Learning for Discovery of GSK3β Inhibitors
Patricia A. Vignaux et al.
ACS OMEGA (2020)
High Levels of Within-Host Variations of Human Papillomavirus 16 E1/E2 Genes in Invasive Cervical Cancer
Yusuke Hirose et al.
FRONTIERS IN MICROBIOLOGY (2020)
Cervical cancer: Epidemiology, risk factors and screening
Shaokai Zhang et al.
CHINESE JOURNAL OF CANCER RESEARCH (2020)
Machine Learning Methods in Drug Discovery
Lauv Patel et al.
MOLECULES (2020)
Acute and sub-acute toxicity profile of methanol leaf extract of Geophila obvallata on renal and hepatic indices in Wistar rats
Osafanme Lucky Iserhienrhien et al.
COGENT FOOD & AGRICULTURE (2020)
AMBER parameters and topology data of 2-pentylpyrrole adduct of arginine with 4-hydroxy-2-nonenal
Antistio Alviz-Amador et al.
DATA IN BRIEF (2020)
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties
Hongbin Yang et al.
BIOINFORMATICS (2019)
Applications of machine learning in drug discovery and development
Jessica Vamathevan et al.
NATURE REVIEWS DRUG DISCOVERY (2019)
Predicting drug activity against cancer cells by random forest models based on minimal genomic information and chemical properties
Alex P. Lind et al.
PLOS ONE (2019)
Peroxisome Proliferator-Activated Receptor-gamma agonists exhibit anti-inflammatory and antiviral effects in an EcoHIV mouse model
Amila Omeragic et al.
SCIENTIFIC REPORTS (2019)
A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation
Eko Aditya Rifai et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
The Human Papillomavirus (HPV) E1 protein regulates the expression of cellular genes involved in immune response
Leonardo Josue Castro-Munoz et al.
SCIENTIFIC REPORTS (2019)
ChEMBL: towards direct deposition of bioassay data
David Mendez et al.
NUCLEIC ACIDS RESEARCH (2019)
ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness
Longfei Guan et al.
MEDCHEMCOMM (2019)
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2018)
Clustal Omega for making accurate alignments of many protein sequences
Fabian Sievers et al.
PROTEIN SCIENCE (2018)
Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening
Hongao Zhang et al.
MEDCHEMCOMM (2018)
Factors associated with high-risk HPV infection and cervical cancer screening methods among rural Uyghur women aged>30years in Xinjiang
Sulaiya Husaiyin et al.
BMC CANCER (2018)
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
Bruno J. Neves et al.
FRONTIERS IN PHARMACOLOGY (2018)
Platform for Unified Molecular Analysis: PUMA
Mariana Gonzalez-Medina et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
Brian J. Bennion et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
Using PyMOL as a platform for computational drug design
Shuguang Yuan et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2017)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
Prediction of the permeability of neutral drugs inferred from their solvation properties
Edoardo Milanetti et al.
BIOINFORMATICS (2016)
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden et al.
EXPERT OPINION ON DRUG DISCOVERY (2015)
Human papillomavirus molecular biology and disease association
John Doorbar et al.
REVIEWS IN MEDICAL VIROLOGY (2015)
In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study
Anand Balupuri et al.
ARCHIVES OF PHARMACAL RESEARCH (2014)
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach
Antoine Daina et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Insights into the drug resistance induced by the BaDHPS mutations: molecular dynamic simulations and MM/GBSA studies
Wen-Ting Chu et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2013)
Transcriptional profiling reveals molecular signatures associated with HIV permissiveness in Th1Th17 cells and identifies Peroxisome Proliferator-Activated Receptor Gamma as an intrinsic negative regulator of viral replication
Annie Bernier et al.
RETROVIROLOGY (2013)
Persistence or Clearance of Human Papillomavirus Infections in Women in Ouro Preto, Brazil
P. M. Miranda et al.
BIOMED RESEARCH INTERNATIONAL (2013)
Prevalence and type distribution of high-risk human papillomavirus in patients with cervical cancer: a population-based study
Mohammadreza Haghshenas et al.
INFECTIOUS AGENTS AND CANCER (2013)
Is an Intuitive Convergence Definition of Molecular Dynamics Simulations Solely Based on the Root Mean Square Deviation Possible?
B. Knapp et al.
JOURNAL OF COMPUTATIONAL BIOLOGY (2011)
PaDEL-Descriptor: An Open Source Software to Calculate Molecular Descriptors and Fingerprints
Chun Wei Yap
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Extended-Connectivity Fingerprints
David Rogers et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
A Model-Based Ensembling Approach for Developing QSARs
Qianyi Zhang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS
Oliver Korb et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Radius of gyration as an indicator of protein structure compactness
M. Yu. Lobanov et al.
MOLECULAR BIOLOGY (2008)
Decision tree methods in pharmaceutical research
PE Blower et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2006)
T-cell responses to human papillomavirus type 16 among women with different grades of cervical neoplasia
JC Steele et al.
BRITISH JOURNAL OF CANCER (2005)
Cinanserin is an inhibitor of the 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro
LL Chen et al.
JOURNAL OF VIROLOGY (2005)
Discovery of small-molecule inhibitors of the ATPase activity of human papillomavirus E1 helicase
AM Faucher et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
WebLogo: A sequence logo generator
GE Crooks et al.
GENOME RESEARCH (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates
M Shen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2003)
分享论文
