916 citations · 2k across the 8 of their papers we have counts for
9 papers
Deep learning for drug repurposing: methods, databases, and applications
Xiaoqin Pan, Xuan Lin, Dongsheng Cao +5
Drug development is time-consuming and expensive. Repurposing existing drugs for new therapies is an attractive solution that accelerates drug development at reduced experimental c…
MIMTool: A Tool for Drawing Molecular Interaction Maps
Mine Edes, Can Özturan, Türkan Haliloğlu +2
Background: To understand protein function, it is important to study protein- protein interaction networks. These networks can be represented in network diagrams called protein int…
Attractor structures of signaling networks: Consequences of different conformational barcode dynamics and their relations to network-based drug design
Kristof Z. Szalay, Ruth Nussinov, Peter Csermely
Conformational barcodes tag functional sites of proteins, and are decoded by interacting molecules transmitting the incoming signal. Conformational barcodes are modified by all co-…
Pathway drug cocktail: targeting Ras signaling based on structural pathways
Ruth Nussinov, Chung-Jung Tsai, Carla Mattos
Tumors bearing Ras mutations are notoriously difficult to treat. Drug combinations targeting the Ras protein or its pathway have also not met with success. Pathway drug cocktails,…
The spatial structure of cell signaling systems
Ruth Nussinov
The spatial structure of the cell is highly organized at all levels: from small complexes and assemblies, to local nano- and micro-clusters, to global, micrometer scales across and…
Structure and dynamics of molecular networks: A novel paradigm of drug discovery. A comprehensive review
Peter Csermely, Tamas Korcsmaros, Huba J. M. Kiss +2
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 not…
Allo-network drugs: harnessing allostery in cellular networks
Ruth Nussinov, Chung-Jung Tsai, Peter Csermely
Allosteric drugs are increasingly used because they produce fewer side effects. Allosteric signal propagation does not stop at the 'end' of a protein, but may be dynamically transm…
Disordered proteins and network disorder in network descriptions of protein structure, dynamics and function. Hypotheses and a comprehensive review
Peter Csermely, Kuljeet Singh Sandhu, Eszter Hazai +6
During the last decade, network approaches became a powerful tool to describe protein structure and dynamics. Here we review the links between disordered proteins and the associate…
Induced fit, conformational selection and independent dynamic segments: an extended view of binding events
Peter Csermely, Robin Palotai, Ruth Nussinov
Single molecule and NMR measurements of protein dynamics increasingly uncover the complexity of binding scenarios. Here we describe an extended conformational selection model which…