4.7 Article

Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach

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。
Editorial Material Virology

Outbreak of pneumonia of unknown etiology in Wuhan, China: The mystery and the miracle

Hongzhou Lu et al.

JOURNAL OF MEDICAL VIROLOGY (2020)

Article Multidisciplinary Sciences

A new coronavirus associated with human respiratory disease in China

Fan Wu et al.

NATURE (2020)

Article Multidisciplinary Sciences

A pneumonia outbreak associated with a new coronavirus of probable bat origin

Peng Zhou et al.

NATURE (2020)

Article Biochemistry & Molecular Biology

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

Alexandra C. Walls et al.

Review Pharmacology & Pharmacy

DataWarrior: an evaluation of the open-source drug discovery tool

Edgar Lopez-Lopez et al.

EXPERT OPINION ON DRUG DISCOVERY (2019)

Article Chemistry, Medicinal

Lipophilic Efficiency as an Important Metric in Drug Design

Ted W. Johnson et al.

JOURNAL OF MEDICINAL CHEMISTRY (2018)

Article Biochemistry & Molecular Biology

ProTox-II: a webserver for the prediction of toxicity of chemicals

Priyanka Banerjee et al.

NUCLEIC ACIDS RESEARCH (2018)

Article Chemistry, Physical

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)

Article Biochemical Research Methods

Two variants of the major serine protease inhibitor from the sea anemone Stichodactyla helianthus, expressed in Pichia pastoris

Rossana Garcia-Fernandez et al.

PROTEIN EXPRESSION AND PURIFICATION (2016)

Review Pharmacology & Pharmacy

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Samuel Genheden et al.

EXPERT OPINION ON DRUG DISCOVERY (2015)

Article Chemistry, Medicinal

Data Warrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis

Thomas Sander et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)

Article Chemistry, Physical

Grid-Based Backbone Correction to the ff12SB Protein Force Field for Implicit-Solvent Simulations

Alberto Perez et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Review Biochemistry & Molecular Biology

Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Bradley Croy Doak et al.

CHEMISTRY & BIOLOGY (2014)

Article Biophysics

Acid-mediated Lipinski's second rule: application to drug design and targeting in cancer

Ziad Omran et al.

EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2014)

Software Review Chemistry, Medicinal

Origin Pro 9.1: Scientific Data Analysis and Graphing Software-Software Review

E. Seifert

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Biotechnology & Applied Microbiology

The role of ligand efficiency metrics in drug discovery

Andrew L. Hopkins et al.

NATURE REVIEWS DRUG DISCOVERY (2014)

Article Integrative & Complementary Medicine

Antiviral Protein of Momordica charantia L. Inhibits Different Subtypes of Influenza A

Viroj Pongthanapisith et al.

EVIDENCE-BASED COMPLEMENTARY AND ALTERNATIVE MEDICINE (2013)

Article Chemistry, Physical

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Biochemistry & Molecular Biology

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)

Article Medicine, Legal

Pharmaceutical toxicology: Designing studies to reduce animal use, while maximizing human translation

Kathryn L. Chapman et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2013)

Review Biochemistry & Molecular Biology

Topological Polar Surface Area: A Useful Descriptor in 2D-QSAR

S. Prasanna et al.

CURRENT MEDICINAL CHEMISTRY (2009)

Article Chemistry, Physical

Molecular structure, lipophilicity, solubility, absorption, and polar surface area of novel anticoagulant agents

Milan Remko

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)

Article Biochemistry & Molecular Biology

New Cucurbitane Triterpenoids and Steroidal Glycoside from Momordica charantia

Jie-Qing Liu et al.

MOLECULES (2009)

Review Pharmacology & Pharmacy

Ligand efficiency indices for effective drug discovery

Cele Abad-Zapatero

EXPERT OPINION ON DRUG DISCOVERY (2007)

Article Chemistry, Medicinal

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Richard A. Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Biochemistry & Molecular Biology

Relative free energy of binding and binding mode calculations of HIV-1 RT inhibitors based on dock-MM-PB/GS

ZG Zhou et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)

Article Engineering, Chemical

Uptake of heavy metals in batch systems by sulfurized steam activated carbon prepared from sugarcane bagasse pith

KA Krishnan et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2002)

Article Chemistry, Medicinal

Molecular properties that influence the oral bioavailability of drug candidates

DF Veber et al.

JOURNAL OF MEDICINAL CHEMISTRY (2002)