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Molecular structure

A molecular dynamics simulation study on the propensity of Asn-Gly-containing heptapeptides towards β-turn structures: Comparison with ab initio quantum mechanical calculations

Dimitrios A. Mitsikas, Nicholas M. Glykos

Conformation and mechanical property of rpoS mRNA inhibitory stem studied by optical tweezers and X-ray scattering

Xinyao Hu, Xuanling Li, [ ... ], Qingguo Gong

Unraveling the structural and molecular properties of 34-residue levans with various branching degrees by replica exchange molecular dynamics simulations

Surasak Chunsrivirot, Pongsakorn Kanjanatanin, Rath Pichyangkura

The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel

Qiwei Liu, Dezheng Wang, [ ... ], Xiaopeng Yu

The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL

Zahra Seraj, Shahin Ahmadian, Matthew R. Groves, Arefeh Seyedarabi

Demonstration of physicochemical and functional similarity between Stimufend (pegfilgrastim-fpgk) and Neulasta (pegfilgrastim): A comparative analytical assessment

Alison Sykes, Louise Ingram, Ulrich Kronthaler, Laurent Chevalet

Embarras de richesses – It is not good to be too anomalous: Accurate structure of selenourea, a chiral crystal of planar molecules

Zhipu Luo, Zbigniew Dauter

A simplified similarity-based approach for drug-drug interaction prediction

Guy Shtar, Adir Solomon, [ ... ], Bracha Shapira

Cobalt ion interaction with TMEM16A calcium-activated chloride channel: Inhibition and potentiation

Dung M. Nguyen, Louisa S. Chen, [ ... ], Tsung-Yu Chen

Uterine contractility changes in a perfused swine uterus model induced by local anesthetics procaine, lidocaine, and ropivacaine

Fabian Weinschenk, Ralf Dittrich, [ ... ], Stefan W. Weinschenk

Mining the Protein Data Bank to improve prediction of changes in protein-protein binding

Samuel Coulbourn Flores, Athanasios Alexiou, Anastasios Glaros

P3a amplitude is related to conclusion specificity during category-based induction

Hong Wang, Ruifang Cui, Changquan Long

Predicting Thermodynamic Properties of PBXTHs with New Quantum Topological Indexes

Fangzhu Xiao, Guowen Peng, Changming Nie, Limei Yu

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