Avidin cooperative allosterism upon binding biotin observed by differential changes in intrinsic fluorescence by Mark J. Waner, Gianna Ellis, Meghan Graeca, Nicholas Ieraci, Cole Morell, Alycia Murphy, David P. Mascotti

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Accurate prediction of protein–ligand interactions by combining physical energy functions and graph-neural networks by Yiyu Hong, Junsu Ha, Jaemin Sim, Chae Jo Lim, Kwang-Seok Oh, Ramakrishnan Chandrasekaran, Bomin Kim, Jieun Choi, Junsu Ko, Woong-Hee Shin, Juyong Lee

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OnionNet-2: a convolutional neural network model for predicting protein-ligand binding affinity based on residue-atom contacting shells by Wang, Zechen, Zheng, Liangzhen, Liu, Yang, Qu, Yuanyuan, Li, Yong-Qiang, Zhao, Mingwen, Mu, Yuguang, Li, Weifeng

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A reinforcement learning approach for protein–ligand binding pose prediction by Chenran Wang, Yang Chen, Yuan Zhang, Keqiao Li, Menghan Lin, Feng Pan, Wei Wu, Jinfeng Zhang

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New Blood Coagulation Factor XIIa Inhibitors: Molecular Modeling, Synthesis, and Experimental Confirmation by Anna Tashchilova, Nadezhda Podoplelova, Alexey Sulimov, Danil Kutov, Ivan Ilin, Mikhail Panteleev, Khidmet Shikhaliev, Svetlana Medvedeva, Nadezhda Novichikhina, Andrey Potapov, Vladimir Sulimov

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Editorial: Allosteric functions and inhibitions: structural insights by David D. Boehr

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Sfcnn: a novel scoring function based on 3D convolutional neural network for accurate and stable protein–ligand affinity prediction by Yu Wang, Zhengxiao Wei, Lei Xi

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The Effects of Temperature and Pressure on Protein-Ligand Binding in the Presence of Mars-Relevant Salts by Nisrine Jahmidi-Azizi, Rosario Oliva, Stewart Gault, Charles S. Cockell, Roland Winter

Subjects: “…protein–ligand binding…”
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DeepTGIN: a novel hybrid multimodal approach using transformers and graph isomorphism networks for protein-ligand binding affinity prediction by Guishen Wang, Hangchen Zhang, Mengting Shao, Yuncong Feng, Chen Cao, Xiaowen Hu

Subjects: “…Protein-ligand binding affinity prediction…”
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Human serum folate can be measured using folate binding protein linked to enzyme-labeled protein ligand binding assay (ELPLBA) as well as ELISA by Muhamad Arif Budiman, Mohamad Sadikin, Ani Retno Prijanti

Subjects: “…Enzyme-labeled protein ligand binding assay…”
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Small world network strategies for studying protein structures and binding by Neil R Taylor

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SMALL WORLD NETWORK STRATEGIES FOR STUDYING PROTEIN STRUCTURES AND BINDING by Neil R. Taylor

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Dynamic Docking: A Paradigm Shift in Computational Drug Discovery by Dario Gioia, Martina Bertazzo, Maurizio Recanatini, Matteo Masetti, Andrea Cavalli

Subjects: “…protein-ligand binding…”
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Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules by Haruki Nakamura, Yoshifumi Fukunishi

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Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation by Haruki Nakamura, Yoshifumi Fukunishi

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CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction by Xun Wang, Dayan Liu, Jinfu Zhu, Alfonso Rodriguez-Paton, Tao Song

Subjects: “…protein-ligand binding affinity…”
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Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities by Beihong Ji, Xibing He, Yuzhao Zhang, Jingchen Zhai, Viet Hoang Man, Shuhan Liu, Junmei Wang

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Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes by Xinsheng Jin, Tong Zhu, Tong Zhu, John Z. H. Zhang, John Z. H. Zhang, John Z. H. Zhang, Xiao He, Xiao He, Xiao He

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Persistent de Rham-Hodge Laplacians in Eulerian representation for manifold topological learning by Zhe Su, Yiying Tong, Guo-Wei Wei

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OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells by Zechen Wang, Liangzhen Zheng, Yang Liu, Yuanyuan Qu, Yong-Qiang Li, Mingwen Zhao, Yuguang Mu , Weifeng Li 

Subjects: “…protein-ligand binding…”
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