Nonspecific binding—fundamental concepts and consequences for biosensing applications
A Frutiger, A Tanno, S Hwu, RF Tiefenauer… - Chemical …, 2021 - ACS Publications
Nature achieves differentiation of specific and nonspecific binding in molecular interactions
through precise control of biomolecules in space and time. Artificial systems such as …
through precise control of biomolecules in space and time. Artificial systems such as …
Small molecules, big targets: drug discovery faces the protein–protein interaction challenge
DE Scott, AR Bayly, C Abell, J Skidmore - Nature Reviews Drug …, 2016 - nature.com
Protein–protein interactions (PPIs) are of pivotal importance in the regulation of biological
systems and are consequently implicated in the development of disease states. Recent work …
systems and are consequently implicated in the development of disease states. Recent work …
ScanNet: an interpretable geometric deep learning model for structure-based protein binding site prediction
Predicting the functional sites of a protein from its structure, such as the binding sites of small
molecules, other proteins or antibodies, sheds light on its function in vivo. Currently, two …
molecules, other proteins or antibodies, sheds light on its function in vivo. Currently, two …
The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
FTMap is a computational map** server that identifies binding hot spots of
macromolecules—ie, regions of the surface with major contributions to the ligand-binding …
macromolecules—ie, regions of the surface with major contributions to the ligand-binding …
Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …
methods and in rational drug design, the increase in approved drugs in the past decade did …
Predicting protein–protein interactions from the molecular to the proteome level
Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …
Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
Multifaceted roles of disulfide bonds. Peptides as therapeutics
M Gongora-Benitez, J Tulla-Puche… - Chemical Reviews, 2014 - ACS Publications
In the last century, small-molecule natural products were the main inspiration for most drug
discovery programs based either on high-throughput screening (HTS) or rational design …
discovery programs based either on high-throughput screening (HTS) or rational design …
X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in …
CD Putnam, M Hammel, GL Hura… - Quarterly reviews of …, 2007 - cambridge.org
Crystallography supplies unparalleled detail on structural information critical for mechanistic
analyses; however, it is restricted to describing low energy conformations of …
analyses; however, it is restricted to describing low energy conformations of …
AGGRESCAN: a server for the prediction and evaluation of" hot spots" of aggregation in polypeptides
Background Protein aggregation correlates with the development of several debilitating
human disorders of growing incidence, such as Alzheimer's and Parkinson's diseases. On …
human disorders of growing incidence, such as Alzheimer's and Parkinson's diseases. On …