Showing results (301-310 of 9,086) with videos related to
Sort By:
Pageof 909
Journal of Chemical Information and Modeling|November 20, 2023
Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced SamplingSutong Xiang, Zhe Wang, Rongfan Tang, et al.Journal of Chemical Information and Modeling|November 20, 2023
From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity PredictionRohan Gorantla, Alžbeta Kubincová, Andrea Y Weiße, et al.Journal of Chemical Information and Modeling|November 1, 2023
Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine GrapheneMateo Barria-Urenda, Alvaro Ruiz-Fernandez, Carlos Gonzalez, et al.Journal of Chemical Information and Modeling|November 2, 2023
Capric Acid and Myristic Acid Permeability Enhancers in Curved Liposome MembranesSamaneh Davoudi, Koen Raemdonck, Kevin Braeckmans, et al.Journal of Chemical Information and Modeling|November 16, 2023
Exploring the Substrate-Assisted Dehydration of Chorismate Catalyzed by Dehydratase MqnA from QM/MM Calculations: The Role of Pocket Residues and the Hydrolysis Mechanism of N17D MutantLihua Dong, Yongjun LiuJournal of Chemical Information and Modeling|November 20, 2023
Unified Model to Predict gRNA Efficiency across Diverse Cell Lines and CRISPR-Cas9 SystemsZhicheng Zhong, Zeying Li, Jie Yang, et al.Journal of Chemical Information and Modeling|November 9, 2023
Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for ChameleonicityXuechen Tang, Janik Kokot, Franz Waibl, et al.Journal of Chemical Information and Modeling|November 10, 2023
MMPatho: Leveraging Multilevel Consensus and Evolutionary Information for Enhanced Missense Mutation Pathogenic PredictionFang Ge, Muhammad Arif, Zihao Yan, et al.Journal of Chemical Information and Modeling|November 10, 2023
Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal CellsArsen Sultanov, Jean-Claude Crivello, Tabea Rebafka, et al.Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.Pageof 909