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Protein structure databases

A simple strategy to enhance the speed of protein secondary structure prediction without sacrificing accuracy

Sheng-Hung Juan, Teng-Ruei Chen, Wei-Cheng Lo

Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor

Melissa F. Adasme, Daniele Parisi, [ ... ], Michael Schroeder

Multifaceted analysis of training and testing convolutional neural networks for protein secondary structure prediction

Maxim Shapovalov, Roland L. Dunbrack Jr., Slobodan Vucetic

QUATgo: Protein quaternary structural attributes predicted by two-stage machine learning approaches with heterogeneous feature encoding

Chi-Hua Tung, Ching-Hsuan Chien, [ ... ], Yen-Wei Chu

Inhibitory effect of a weight-loss Chinese herbal formula RCM-107 on pancreatic α-amylase activity: Enzymatic and in silico approaches

Shiqi Luo, George Binh Lenon, [ ... ], Linh Toan Nguyen

Difference contact maps: From what to why in the analysis of the conformational flexibility of proteins

Mallika Iyer, Zhanwen Li, [ ... ], Adam Godzik

A study on separation of the protein structural types in amino acid sequence feature spaces

Xiaogeng Wan, Xinying Tan

Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors

Mehreen Gul, Muhammad Fakhar, Najumuddin, Sajid Rashid

Upgraded molecular models of the human KCNQ1 potassium channel

Georg Kuenze, Amanda M. Duran, [ ... ], Jens Meiler

The number of domains in the ribosomal protein S1 as a hallmark of the phylogenetic grouping of bacteria

Andrey V. Machulin, Evgenia I. Deryusheva, Olga M. Selivanova, Oxana V. Galzitskaya

Identification of lead molecules against potential drug target protein MAPK4 from L. donovani: An in-silico approach using docking, molecular dynamics and binding free energy calculation

Shweta Raj, Santanu Sasidharan, Vikash Kumar Dubey, Prakash Saudagar

Unraveling the structural landscape of intra-chain domain interfaces: Implication in the evolution of domain-domain interactions

Rivi Verma, Shashi Bhushan Pandit

Understanding the impacts of missense mutations on structures and functions of human cancer-related genes: A preliminary computational analysis of the COSMIC Cancer Gene Census

Sony Malhotra, Ali F. Alsulami, [ ... ], Tom L. Blundell

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