Mitochondrial injury and cognitive function in HIV infection and methamphetamine use von Var, Susanna R, Day, Tyler R.C, Vitomirov, Andrej, Smith, Davey M, Soontornniyomkij, Virawudh, Moore, David J, Achim, Cristian L, Mehta, Sanjay R, Pérez-Santiago, Josué

Volltext

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments von Madhavi Sastry, G., Adzhigirey, Matvey, Day, Tyler, Annabhimoju, Ramakrishna, Sherman, Woody

Volltext

Antibody structure determination using a combination of homology modeling, energy-based refinement, and loop prediction von Zhu, Kai, Day, Tyler, Warshaviak, Dora, Murrett, Colleen, Friesner, Richard, Pearlman, David

Volltext

AggScore: Prediction of aggregation‐prone regions in proteins based on the distribution of surface patches von Sankar, Kannan, Krystek, Stanley R., Carl, Stephen M., Day, Tyler, Maier, Johannes K. X.

Volltext

Cell-free mitochondrial DNA in CSF is associated with early viral rebound, inflammation, and severity of neurocognitive deficits in HIV infection von Pérez-Santiago, Josué, Schrier, Rachel D., de Oliveira, Michelli F., Gianella, Sara, Var, Susanna R., Day, Tyler R. C., Ramirez-Gaona, Miguel, Suben, Jesse D., Murrell, Ben, Massanella, Marta, Cherner, Mariana, Smith, Davey M., Ellis, Ronald J., Letendre, Scott L., Mehta, Sanjay R.

Volltext

The properties of ion-water clusters. I. The protonated 21-water cluster von Iyengar, Srinivasan S., Petersen, Matt K., Day, Tyler J. F., Burnham, Christian J., Teige, Virginia E., Voth, Gregory A.

Volltext

Increased cell-free mitochondrial DNA is a marker of ongoing inflammation and better neurocognitive function in virologically suppressed HIV-infected individuals von Pérez-Santiago, Josué, De Oliveira, Michelli F., Var, Susanna R., Day, Tyler R. C., Woods, Steven P., Gianella, Sara, Mehta, Sanjay R.

Volltext

Subtype associations with HIV-associated neurocognitive disorder in China von Day, Tyler R. C., Smith, Davey M., Heaton, Robert K., Franklin, Donald, Tilghman, Myers W., Letendre, Scott, Jin, Hua, Wu, Zunyou, Shi, Chuan, Yu, Xin, Pérez-Santiago, Josué

Volltext

A second generation multistate empirical valence bond model for proton transport in aqueous systems von Day, Tyler J. F., Soudackov, Alexander V., Čuma, Martin, Schmitt, Udo W., Voth, Gregory A.

Volltext

The properties of ion-water clusters. II. Solvation structures of Na + , Cl − , and H + clusters as a function of temperature von Burnham, Christian J., Petersen, Matt K., Day, Tyler J. F., Iyengar, Srinivasan S., Voth, Gregory A.

Volltext

Ab initio structure prediction of the antibody hypervariable H3 loop von Zhu, Kai, Day, Tyler

Volltext

On the amphiphilic behavior of the hydrated proton: an ab initio molecular dynamics study von Iyengar, Srinivasan S., Day, Tyler J.F., Voth, Gregory A.

Volltext

Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling von Sindhikara, Dan, Spronk, Steven A, Day, Tyler, Borrelli, Ken, Cheney, Daniel L, Posy, Shana L

Volltext

Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects von Sherman, Woody, Day, Tyler, Jacobson, Matthew P, Friesner, Richard A, Farid, Ramy

Volltext

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding von Miller, Edward B, Murphy, Robert B, Sindhikara, Daniel, Borrelli, Kenneth W, Grisewood, Matthew J, Ranalli, Fabio, Dixon, Steven L, Jerome, Steven, Boyles, Nicholas A, Day, Tyler, Ghanakota, Phani, Mondal, Sayan, Rafi, Salma B, Troast, Dawn M, Abel, Robert, Friesner, Richard A

Volltext

qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X‑Ray Electron Density Maps von van Zundert, Gydo C. P, Hudson, Brandi M, de Oliveira, Saulo H. P, Keedy, Daniel A, Fonseca, Rasmus, Heliou, Amelie, Suresh, Pooja, Borrelli, Kenneth, Day, Tyler, Fraser, James S, van den Bedem, Henry

Volltext

Theory of ion solvation dynamics in mixed dipolar solvents von Yoshimori, Akira, Day, Tyler J. F., Patey, G. N.

Volltext

Discovery of a Novel Class of d‑Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform von Tang, Haifeng, Jensen, Kristian, Houang, Evelyne, McRobb, Fiona M., Bhat, Sathesh, Svensson, Mats, Bochevarov, Art, Day, Tyler, Dahlgren, Markus K., Bell, Jeffery A., Frye, Leah, Skene, Robert J., Lewis, James H., Osborne, James D., Tierney, Jason P., Gordon, James A., Palomero, Maria A., Gallati, Caroline, Chapman, Robert S. L., Jones, Daniel R., Hirst, Kim L., Sephton, Mark, Chauhan, Alka, Sharpe, Andrew, Tardia, Piero, Dechaux, Elsa A., Taylor, Andrea, Waddell, Ross D., Valentine, Andrea, Janssens, Holden B., Aziz, Omar, Bloomfield, Dawn E., Ladha, Sandeep, Fraser, Ian J., Ellard, John M.

Volltext

Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform von Tang, Haifeng, Jensen, Kristian, Houang, Evelyne, McRobb, Fiona M, Bhat, Sathesh, Svensson, Mats, Bochevarov, Art, Day, Tyler, Dahlgren, Markus K, Bell, Jeffery A, Frye, Leah, Skene, Robert J, Lewis, James H, Osborne, James D, Tierney, Jason P, Gordon, James A, Palomero, Maria A, Gallati, Caroline, Chapman, Robert S L, Jones, Daniel R, Hirst, Kim L, Sephton, Mark, Chauhan, Alka, Sharpe, Andrew, Tardia, Piero, Dechaux, Elsa A, Taylor, Andrea, Waddell, Ross D, Valentine, Andrea, Janssens, Holden B, Aziz, Omar, Bloomfield, Dawn E, Ladha, Sandeep, Fraser, Ian J, Ellard, John M

Volltext

Whole genome sequencing of Caribbean Hispanic families with late‐onset Alzheimer's disease von Vardarajan, Badri N., Barral, Sandra, Jaworski, James, Beecham, Gary W., Blue, Elizabeth, Tosto, Giuseppe, Reyes‐Dumeyer, Dolly, Medrano, Martin, Lantigua, Rafael, Naj, Adam, Thornton, Timothy, DeStefano, Anita, Martin, Eden, Wang, Li‐San, Brown, Lisa, Bush, William, Duijn, Cornelia, Goate, Allison, Farrer, Lindsay, Haines, Jonathan L., Boerwinkle, Eric, Schellenberg, Gerard, Wijsman, Ellen, Pericak‐Vance, Margaret A., Mayeux, Richard, Mosley, Cantwell, Laura, Childress, Micah, Chou, Yi‐Fan, Cweibel, Rebecca, Gangadharan, Prabhakaran, Kuzma, Amanda, Lin, Han‐Jen, Malamon, John, Mlynarski, Elisabeth, Naj, Adam, Qu, Liming, Schellenberg, Gerard, Valladares, Otto, Wang, Li‐San, Wang, Weixin, Zhang, Nancy, Below, Boerwinkle, Eric, Bressler, Jan, Fornage, Myriam, Jian, Xueqiu, Liu, Xiaoming, Bis, Blue, Elizabeth, Brown, Lisa, Day, Tyler, Dorschner, Michael, Nafikov, Navas, Pat, Nguyen, Hiep, Psaty, Bruce, Rice, Kenneth, Saad, Mohamad, Sohi, Harkirat, Thornton, Timothy, Tsuang, Debby, Wang, Bowen, Wijsman, Ellen, Appelbaum, Elizabeth, Cruchaga, Carlos, Koboldt, Daniel C, Waligorski, Jason

Volltext