Mechanism of Ligand Recognition by Human ACE2 Receptor

Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2

(2020) Renhong Yan et al.   SCIENCE

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

(2020) Qihui Wang et al.   CELL

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

(2020) Markus Hoffmann et al.   CELL

Angiotensin-Converting Enzyme 2: SARS-CoV-2 Receptor and Regulator of the Renin-Angiotensin System

(2020) Mahmoud Gheblawi et al.   CIRCULATION RESEARCH

Structural basis of receptor recognition by SARS-CoV-2

(2020) Jian Shang et al.   NATURE

ACE2, the Receptor that Enables Infection by SARS‐CoV‐2: Biochemistry, Structure, Allostery and Evaluation of the Potential Development of ACE2 Modulators

(2020) Lissy Z. F. Gross et al.   ChemMedChem

Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics

(2020) Yinglong Miao et al.   Journal of Chemical Theory and Computation

Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules

(2019) Hiraku Oshima et al.   Journal of Chemical Theory and Computation

Ensemble Docking in Drug Discovery

(2018) Rommie E. Amaro et al.   BIOPHYSICAL JOURNAL

Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics

(2018) Yinglong Miao   JOURNAL OF CHEMICAL PHYSICS

Replica Exchange Gaussian Accelerated Molecular Dynamics: Improved Enhanced Sampling and Free Energy Calculation

(2018) Yu-ming M. Huang et al.   Journal of Chemical Theory and Computation

Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2

(2018) Wenfei Song et al.   PLoS Pathogens

Role of the ACE2/Angiotensin 1–7 Axis of the Renin–Angiotensin System in Heart Failure

(2016) Vaibhav B. Patel et al.   CIRCULATION RESEARCH

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

(2015) Yinglong Miao et al.   Journal of Chemical Theory and Computation

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

(2015) Nuria Plattner et al.   Nature Communications

ACE2 – From the renin–angiotensin system to gut microbiota and malnutrition

(2013) Thomas Perlot et al.   MICROBES AND INFECTION

Structure-Based Identification of Small-Molecule Angiotensin-Converting Enzyme 2 Activators as Novel Antihypertensive Agents

(2008) José A. Hernández Prada et al.   HYPERTENSION

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

(2008) Rommie E. Amaro et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN