Insights into protein–ligand interactions: mechanisms, models, and methods
X Du, Y Li, YL Xia, SM Ai, J Liang, P Sang… - International journal of …, 2016 - mdpi.com
Molecular recognition, which is the process of biological macromolecules interacting with
each other or various small molecules with a high specificity and affinity to form a specific …
each other or various small molecules with a high specificity and affinity to form a specific …
Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design
JD Chodera, DL Mobley - Annual review of biophysics, 2013 - annualreviews.org
Recent calorimetric studies of interactions between small molecules and biomolecular
targets have generated renewed interest in the phenomenon of entropy-enthalpy …
targets have generated renewed interest in the phenomenon of entropy-enthalpy …
Regulation of protein-ligand binding affinity by hydrogen bond pairing
Hydrogen (H)-bonds potentiate diverse cellular functions by facilitating molecular
interactions. The mechanism and the extent to which H-bonds regulate molecular …
interactions. The mechanism and the extent to which H-bonds regulate molecular …
The Omicron (B. 1.1. 529) variant of SARS-CoV-2 binds to the hACE2 receptor more strongly and escapes the antibody response: Insights from structural and …
Abstract As SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) continues to
inflict chaos globally, a new variant officially known as B. 1.1. 529 was reported in South …
inflict chaos globally, a new variant officially known as B. 1.1. 529 was reported in South …
Protein activity regulation by conformational entropy
SR Tzeng, CG Kalodimos - Nature, 2012 - nature.com
How the interplay between protein structure and internal dynamics regulates protein function
is poorly understood. Often, ligand binding, post-translational modifications and mutations …
is poorly understood. Often, ligand binding, post-translational modifications and mutations …
Interactions between milk proteins and polyphenols: Binding mechanisms, related changes, and the future trends in the dairy industry
S Yildirim-Elikoglu, YK Erdem - Food reviews international, 2018 - Taylor & Francis
The biological activity and techno-functional properties of phenolic compounds have gained
great importance due to the epidemiologically-proved health benefits. Use of polyphenols as …
great importance due to the epidemiologically-proved health benefits. Use of polyphenols as …
Finding the sweet spot: the role of nature and nurture in medicinal chemistry
Given its position at the heart of small-molecule drug discovery, medicinal chemistry has an
important role in tackling the well-known productivity challenges in pharmaceutical research …
important role in tackling the well-known productivity challenges in pharmaceutical research …
Applying thermodynamic profiling in lead finding and optimization
G Klebe - Nature Reviews Drug Discovery, 2015 - nature.com
Small-molecule drug discovery involves the optimization of various physicochemical
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …
properties of a ligand, particularly its binding affinity for its target receptor (or receptors). In …
The SARS-CoV-2 B. 1.618 variant slightly alters the spike RBD–ACE2 binding affinity and is an antibody escaping variant: a computational structural perspective
Continuing reports of new SARS-CoV-2 variants have caused worldwide concern and
created a challenging situation for clinicians. The recently reported variant B. 1.618, which …
created a challenging situation for clinicians. The recently reported variant B. 1.618, which …
[图书][B] Introduction to proteins: structure, function, and motion
Introduction to Proteins provides a comprehensive and state-of-the-art introduction to the
structure, function, and motion of proteins for students, faculty, and researchers at all levels …
structure, function, and motion of proteins for students, faculty, and researchers at all levels …