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Hydrogen bonding

In Silico Investigation of Potential Src Kinase Ligands from Traditional Chinese Medicine

Weng Ieong Tou, Calvin Yu-Chian Chen

Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

Zhonghua Shen, Feixiong Cheng, [ ... ], Yun Tang

Novel Binding Mode of a Potent and Selective Tankyrase Inhibitor

Hakan Gunaydin, Yan Gu, Xin Huang

Structures of Helicobacter pylori Shikimate Kinase Reveal a Selective Inhibitor-Induced-Fit Mechanism

Wen-Chi Cheng, Yen-Fu Chen, [ ... ], Wen-Ching Wang

Structural Basis of Ets1 Cooperative Binding to Widely Separated Sites on Promoter DNA

Nigar D. Babayeva, Oxana I. Baranovskaya, Tahir H. Tahirov

Spectroscopic Studies of the Iron and Manganese Reconstituted Tyrosyl Radical in Bacillus Cereus Ribonucleotide Reductase R2 Protein

Ane B. Tomter, Giorgio Zoppellaro, [ ... ], K. Kristoffer Andersson

Inflammation-Associated Nitrotyrosination Affects TCR Recognition through Reduced Stability and Alteration of the Molecular Surface of the MHC Complex

Chaithanya Madhurantakam, Adil D. Duru, [ ... ], Adnane Achour

Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew, Eun Jung Choi, Richard Bonneau, Brian Kuhlman

β-sheet Topology Prediction with High Precision and Recall for β and Mixed α/β Proteins

Ashwin Subramani, Christodoulos A. Floudas

Diphenyl Urea Derivatives as Inhibitors of Transketolase: A Structure-Based Virtual Screening

Cristian Obiol-Pardo, Gema Alcarraz-Vizán, Marta Cascante, Jaime Rubio-Martinez

Molecular Interpretation of ACTH-β-Endorphin Coaggregation: Relevance to Secretory Granule Biogenesis

Srivastav Ranganathan, Pradeep K. Singh, [ ... ], Samir K. Maji

Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites

Gregory A. Ross, Garrett M. Morris, Philip C. Biggin

Mechanisms of Loss of Functions of Human Angiogenin Variants Implicated in Amyotrophic Lateral Sclerosis

Aditya K. Padhi, Hirdesh Kumar, [ ... ], James Gomes

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