Pervasive G × E interactions shape adaptive trajectories and the exploration of the phenotypic space in artificial selection experiments von Desbiez-Piat, Arnaud, Ressayre, Adrienne, Marchadier, Elodie, Noly, Alicia, Remoué, Carine, Vitte, Clémentine, Belcram, Harry, Bourgais, Aurélie, Galic, Nathalie, Le Guilloux, Martine, Tenaillon, Maud I, Dillmann, Christine

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Genome-wide mediation analysis: an empirical study to connect phenotype with genotype via intermediate transcriptomic data in maize von Yang, Zhikai, Xu, Gen, Zhang, Qi, Obata, Toshihiro, Yang, Jinliang

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Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand von Pires, Douglas E. V., Kaminskas, Lisa M., Ascher, David B.

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Practices in Molecular Docking and Structure-Based Virtual Screening von dos Santos, Ricardo N., Ferreira, Leonardo G., Andricopulo, Adriano D.

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Survival following investigational treatment of amanita mushroom poisoning: thistle or shamrock? von Gores, Kathryn M, Hamieh, Tarek S, Schmidt, Gregory A

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Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner’s Guide von Aldeghi, Matteo, Bluck, Joseph P., Biggin, Philip C.

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Computer-Aided Drug Design: An Overview von Talevi, Alan

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Protein–Protein Docking in Drug Design and Discovery von Kaczor, Agnieszka A., Bartuzi, Damian, Stępniewski, Tomasz Maciej, Matosiuk, Dariusz, Selent, Jana

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Prediction of Human Drug Targets and Their Interactions Using Machine Learning Methods: Current and Future Perspectives von Nath, Abhigyan, Kumari, Priyanka, Chaube, Radha

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Molecular Dynamics as a Tool for Virtual Ligand Screening von Menchon, Grégory, Maveyraud, Laurent, Czaplicki, Georges

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Molecular Dynamics Simulation and Prediction of Druggable Binding Sites von Feng, Tianhua, Barakat, Khaled

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Survival Following Investigational Treatment of Amanita Mushroom Poisoning von Gores, Kathryn M., MD, Hamieh, Tarek S., MD, Schmidt, Gregory A., MD, FCCP

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AGGRESCAN3D: Toward the Prediction of the Aggregation Propensities of Protein Structures von Pujols, Jordi, Peña-Díaz, Samuel, Ventura, Salvador

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Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design von Morency, Louis-Philippe, Gaudreault, Francis, Najmanovich, Rafael

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Automated Inference of Chemical Discriminants of Biological Activity von Raschka, Sebastian, Scott, Anne M., Huertas, Mar, Li, Weiming, Kuhn, Leslie A.

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Molecular Dynamics Simulations of Protein–Drug Complexes: A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Bio... von Hadden, Jodi A., Perilla, Juan R.

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De Novo Design of Ligands Using Computational Methods von Suryanarayanan, Venkatesan, Panwar, Umesh, Chandra, Ishwar, Singh, Sanjeev Kumar

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Understanding G Protein-Coupled Receptor Allostery via Molecular Dynamics Simulations: Implications for Drug Discovery von Basith, Shaherin, Lee, Yoonji, Choi, Sun

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Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein–Ligand Docking Method von Shin, Woong-Hee, Kihara, Daisuke

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Phylogenetic and Other Conservation-Based Approaches to Predict Protein Functional Sites von Atas, Heval, Tuncbag, Nurcan, Doğan, Tunca

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