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Transition state

A highly accurate method for forecasting the compressor geometric variable system based on the data-driven method

Cunjiang Xia, Yuyou Zhan, [ ... ], Wenqing Wu

The social cost of carbon driven by green behaviors

Min Fu, Yixiang Zhang, Lixin Tian, Zaili Zhen

A novel approach for modelling and classifying sit-to-stand kinematics using inertial sensors

Maitreyee Wairagkar, Emma Villeneuve, [ ... ], William S. Harwin

Automated fitting of transition state force fields for biomolecular simulations

Taylor R. Quinn, Himani N. Patel, [ ... ], Olaf Wiest

Lateral access mechanism of LPA receptor probed by molecular dynamics simulation

Rieko Suenaga, Mizuki Takemoto, [ ... ], Osamu Nureki

A transition-based neural framework for Chinese information extraction

Wenzhi Huang, Junchi Zhang, Donghong Ji

The nature of the ligand’s side chain interacting with the S1'-subsite of metallocarboxypeptidase T (from Thermoactinomyces vulgaris) determines the geometry of the tetrahedral transition complex

Valery Kh. Akparov, Vladimir I. Timofeev, [ ... ], Vytas Švedas

Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study

Ol’ha O. Brovarets’, Dmytro M. Hovorun

Graph-theoretical analysis for energy landscape reveals the organization of state transitions in the resting-state human cerebral cortex

Jiyoung Kang, Chongwon Pae, Hae-Jeong Park

Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM study

Rodrigo Recabarren, Edison H. Osorio, [ ... ], Jans H. Alzate-Morales

Detailed characterization of the solution kinetics and thermodynamics of biotin, biocytin and HABA binding to avidin and streptavidin

Roberto F. Delgadillo, Timothy C. Mueser, [ ... ], Lawrence J. Parkhurst

Prediction of perturbed proton transfer networks

Marco Reidelbach, Marcus Weber, Petra Imhof

Prevalence, transitions and factors predicting transition between frailty states among rural community-dwelling older adults in Malaysia

Nur Sakinah Ahmad, Noran Naqiah Hairi, [ ... ], Awang Bulgiba

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