1. Advances in free-energy-based simulations of protein folding and ligand binding. (February 2016) Authors: Perez, Alberto; Morrone, Joseph A; Simmerling, Carlos; Dill, Ken A Journal: Current opinion in structural biology Issue: Volume 36(2016) Page Start: 25 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Advances in free-energy-based simulations of protein folding and ligand binding. (February 2016) Authors: Perez, Alberto; Morrone, Joseph A; Simmerling, Carlos; Dill, Ken A Journal: Current opinion in structural biology Issue: Volume 36(2016) Page Start: 25 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. (September 2021) Authors: Casalino, Lorenzo; Dommer, Abigail C; Gaieb, Zied; Barros, Emilia P; Sztain, Terra; Ahn, Surl-Hee; Trifan, Anda; Brace, Alexander; Bogetti, Anthony T; Clyde, Austin; Ma, Heng; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Chong, Lillian T; Simmerling, Carlos; Hardy, David J; Maia, Julio DC; Philli... Other Names: De Supinski Bronis guest-editor. Journal: International journal of high performance computing applications Issue: Volume 35:Number 5(2021) Page Start: 432 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion. Issue 12 (19th June 2016) Authors: Byrnes, James; Hauser, Kevin; Norona, Leah; Mejia, Edison; Simmerling, Carlos; Garcia-Diaz, Miguel Journal: Journal of molecular biology Issue: Volume 428:Issue 12(2016:Jun. 19) Page Start: 2542 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Cover Picture: Time‐Dependent Diaryl Ether Inhibitors of InhA: Structure–Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy (ChemMedChem 4/2014). Issue 4 (April 2014) Authors: Pan, Pan; Knudson, Susan E.; Bommineni, Gopal R.; Li, Huei‐Jiun; Lai, Cheng‐Tsung; Liu, Nina; Garcia‐Diaz, Miguel; Simmerling, Carlos; Patil, Sachindra S.; Slayden, Richard A.; Tonge, Peter J. Journal: ChemMedChem Issue: Volume 9:Issue 4(2014:Apr.) Page Start: 673 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. On the plasticity of amyloid formation: The impact of destabilizing small to large substitutions on islet amyloid polypeptide amyloid formation. (18th January 2023) Authors: Manathunga, Lakshan; Akter, Rehana; Zhyvoloup, Alexander; Simmerling, Carlos; Raleigh, Daniel P. Journal: Protein science Issue: Volume 32:Number 2(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Time‐Dependent Diaryl Ether Inhibitors of InhA: Structure–Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy. Issue 4 (11th March 2014) Authors: Pan, Pan; Knudson, Susan E.; Bommineni, Gopal R.; Li, Huei‐Jiun; Lai, Cheng‐Tsung; Liu, Nina; Garcia‐Diaz, Miguel; Simmerling, Carlos; Patil, Sachindra S.; Slayden, Richard A.; Tonge, Peter J. Journal: ChemMedChem Issue: Volume 9:Issue 4(2014:Apr.) Page Start: 776 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗