Homology‐based hydrogen bond information improves crystallographic structures in the PDB von van Beusekom, Bart, Touw, Wouter G., Tatineni, Mahidhar, Somani, Sandeep, Rajagopal, Gunaretnam, Luo, Jinquan, Gilliland, Gary L., Perrakis, Anastassis, Joosten, Robbie P.

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JNJ-77242113, a highly potent, selective peptide targeting the IL-23 receptor, provides robust IL-23 pathway inhibition upon oral dosing in rats and humans von Fourie, Anne M., Cheng, Xiaoli, Chang, Leon, Greving, Carrie, Li, Xinyi, Knight, Beverly, Polidori, David, Patrick, Aaron, Bains, Trpta, Steele, Ruth, Allen, Samantha J., Patch, Raymond J., Sun, Chengzao, Somani, Sandeep, Bhandari, Ashok, Liu, David, Huie, Keith, Li, Shu, Rodriguez, Michael A., Xue, Xiaohua, Kannan, Arun, Kosoglou, Teddy, Sherlock, Jonathan P., Towne, Jennifer, Holland, M. Claire, Modi, Nishit B.

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Efficient Generation of Bispecific Murine Antibodies for Pre-Clinical Investigations in Syngeneic Rodent Models von Labrijn, Aran F., Meesters, Joyce I., Bunce, Matthew, Armstrong, Anthony A., Somani, Sandeep, Nesspor, Tom C., Chiu, Mark L., Altintaş, Işil, Verploegen, Sandra, Schuurman, Janine, Parren, Paul W. H. I.

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Exploiting the potential energy landscape to sample free energy von Ballard, Andrew J., Martiniani, Stefano, Stevenson, Jacob D., Somani, Sandeep, Wales, David J.

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Modeling Chromatography Binding through Molecular Dynamics Simulations with Resin Fragments von Stanevich, Vitali, Oyeniran, Oluyemi, Somani, Sandeep

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Accelerated convergence of molecular free energy via superposition approximation-based reference states von Somani, Sandeep, Gilson, Michael K.

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Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality von Tam, Susan, McCarthy, Stephen, Armstrong, Anthony, Somani, Sandeep, Wu, Sheng-Jiun, Liu, Xuesong, Gervais, Alexis, Ernst, Robin, Saro, Dorina, Decker, Rose, Luo, Jinquan, Gilliland, Gary, Chiu, Mark, Scallon, Bernard

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Sampling conformations in high dimensions using low-dimensional distribution functions von Somani, Sandeep, Killian, Benjamin J., Gilson, Michael K.

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Cyclic Peptide Linker Design and Optimization by Molecular Dynamics Simulations von Yu, Lei, Barros, Stephanie A., Sun, Chengzao, Somani, Sandeep

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MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands von Parui, Sridip, Robertson, James C., Somani, Sandeep, Tresadern, Gary, Liu, Cong, Dill, Ken A.

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Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing von Matico, Rosalie E., Yu, Xiaodi, Miller, Robyn, Somani, Sandeep, Ricketts, M. Daniel, Kumar, Nikit, Steele, Ruth A., Medley, Quintus, Berger, Scott, Faustin, Benjamin, Sharma, Sujata

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Surface salt bridges contribute to the extreme thermal stability of an FN3‐like domain from a thermophilic bacterium von Boucher, Lauren, Somani, Sandeep, Negron, Christopher, Ma, Wenting, Jacobs, Steven, Chan, Winnie, Malia, Thomas, Obmolova, Galina, Teplyakov, Alexey, Gilliland, Gary L., Luo, Jinquan

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Product-Specific Impact of Viscosity Modulating Formulation Excipients During Ultra-High Concentration Biotherapeutics Drug Product Development von Rodrigues, Danika, Tanenbaum, Laura M., Thirumangalathu, Renuka, Somani, Sandeep, Zhang, Kai, Kumar, Vineet, Amin, Ketan, Thakkar, Santosh V.

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Computational Characterization of Antibody–Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach... von Jo, Sunhwan, Xu, Amy, Curtis, Joseph E, Somani, Sandeep, MacKerell, Alexander D

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Energy landscapes and global thermodynamics for alanine peptides von Somani, Sandeep, Wales, David J

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Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow von Thakkar, Santosh V., Rodrigues, Danika, Zhai, Bo, Banton, Dwaine, Somani, Sandeep, Javidi, Alex, Mahan, Andrew, Ember, Stuart, DeGrazio, Dominick, Ganguly, Subinay, Amin, Ketan, Nanda, Hirsh

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Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS) von Somani, Sandeep, Jo, Sunhwan, Thirumangalathu, Renuka, Rodrigues, Danika, Tanenbaum, Laura M., Amin, Ketan, MacKerell, Alexander D., Thakkar, Santosh V.

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Terrain Mapping Camera-2 onboard Chandrayaan-2 Orbiter von Chowdhury, Arup Roy, Patel, Vishnukumar D., Joshi, S. R., Arya, A. S., Kumar, Ankush, Paul, Sukamal, Shah, Dhrupesh, Soni, Pradeep, Karelia, J. C., Sampat, Minal, Sharma, Satish, Somani, Sandip, Bhagat, H. V., Sharma, Jitendra, Amitabh, Suresh, K., Rajasekhar, R. P., Bokarwadia, B. B., Kumar, Mukesh, Ghonia, D. N.

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A conformational factorisation approach for estimating the binding free energies of macromolecules von Mochizuki, Kenji, Whittleston, Chris S, Somani, Sandeep, Kusumaatmaja, Halim, Wales, David J

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Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide von Killian, Benjamin J, Kravitz, Joslyn Yudenfreund, Somani, Sandeep, Dasgupta, Paramita, Pang, Yuan-Ping, Gilson, Michael K

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