Vijay S. Pande
Stanford University
448 Papers
3.6K Citations
Vijay S. Pande is an academic researcher from Stanford University. The author has contributed to research in topics: Protein folding & Computer science. The author has an hindex of 104, co-authored 445 publications. Previous affiliations of Vijay S. Pande include Massachusetts Institute of Technology & Weizmann Institute of Science.
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Papers
A targeted computational screen of the SWEETLEAD database reveals FDA-approved compounds with anti-dengue viral activity
Jasmine Moshiri,David A. Constant,Bowen Liu,Roberto Mateo,Steven Kearnes,Paul Novick,Ritika Prasad,Claude M. Nagamine,Vijay S. Pande,Karla Kirkegaard +9 more
TL;DR: Computational screening was used to identify entries in an in silico database of safe-in-human compounds that display high chemical similarities to known inhibitors of dengue virus, and potential targets of two previously identified antiviral compounds were identified and a previously unknown potential anti-dengue drug was revealed.
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A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity.
Jasmine Moshiri,David A. Constant,Bowen Liu,Roberto Mateo,Steven Kearnes,Paul Novick,Ritika Prasad,Claude M. Nagamine,Vijay S. Pande,Karla Kirkegaard +9 more
TL;DR: Three FDA-approved compounds are identified that are attractive candidates for repurposing as antivirals for dengue virus infections and a previously unknown potential anti-dengue compound is revealed, vandetanib.
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A bundling of viral fusion mechanisms
Peter M. Kasson,Vijay S. Pande +1 more
TL;DR: Important conformational data on membrane-inserted fusion domains is presented, which represents an emerging paradigm whereby computational studies can be used to help interpret mechanistic complexity in experimental data.
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Synthesis of spiro-2,6-dioxopiperazine and spiro-2,6-dioxopyrazine scaffolds using amino acids in a three-component reaction to generate potential Sigma-1 (σ1) receptor selective ligands
Rajendra Uprety,András Váradi,Abdullah Allaoa,Gabriel N. Redel-Traub,Travis C. Palmer,Evan N. Feinberg,Alex C. Ferris,Vijay S. Pande,Gavril W. Pasternak,Susruta Majumdar,Susruta Majumdar +10 more
TL;DR: Screening of select compounds over fifty CNS receptors including G-protein coupled receptors (GPCRs), ion channels, transporters, and enzymes through the NIMH psychoactive drug screening program indicated that a novel spiro-2,6-dioxopyrazine scaffold, UVM147, displays high binding affinity at sigma-1 (σ1) receptor in the nanomolar range.
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Eigenvalues of the Homogeneous Finite Linear One Step Master Equation: Applications to Downhill Folding
Thomas J. Lane,Vijay S. Pande +1 more
TL;DR: By solving for the system eigenvalues, it is proved that in situations where there is no free energy barrier a transition between single- and multi-exponential kinetics occurs at sufficient bias (towards the native state).
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