William L. Jorgensen

Affiliations:

Yale University, New Haven, CT

Area:

computational chemistry and molecular design

Website:

http://zarbi.chem.yale.edu/

Google:

"William L. Jorgensen"

Bio:

http://www.nasonline.org/member-directory/members/2537864.html
http://scholar.google.com/citations?user=JWjHgEAAAAAJ&hl=en

Mean distance: 6.94

Tree Publications Similar researchers PubMed Report error

Parents

Leland C. Allen	research assistant	1970-1971	Princeton
Elias James Corey	grad student	1975	Harvard
(Computer assisted synthetic analysis. Theoretical studies of polycyles containing small rings)

Children

Jeffry D. Madura	grad student		Purdue
Carli Roush	grad student
Jiali Gao	grad student	1987	Purdue
James M. Briggs	grad student	1990	Purdue
David S Maxwell	grad student	1990-1995	Yale
Heather A. Carlson	grad student	1997	Yale
Michael W. Mahoney	grad student	2000	Yale
Daniel J. Price	grad student	2000	Yale
Melissa L. Price	grad student	2000	Yale
Albert C. Pierce	grad student	2001	Yale
Robert C. Rizzo	grad student	2001	Yale
Matthew P. Repasky	grad student	2002	Yale
Dennis Ostrovsky	grad student	2003	Yale
Marina Udier Blagovic	grad student	2004	Yale
Jakob P. Ulmschneider	grad student	2004	Yale
Theresa M. Lyons	grad student	2006	Yale
Ivan Tubert-Brohman	grad student	2006	Yale
Siegfried S. Leung	grad student	2009	Yale
Sara E. Nichols	grad student	2009	Yale
Laura L. DeFeo	grad student	2010	Yale
John P. Terhorst	grad student	2011	Yale
Alissa A. Hare	grad student	2012	Yale
Jakub Kostal	grad student	2012	Yale
Cheryl S. Leung	grad student	2012	Yale
Ricardo Gallardo-Macias	grad student	2014	Yale
Michael J. Robertson	grad student	2012-2017	Yale (Cell Biology Tree)
Anastassia N. Alexandrova	post-doc		Yale
Daniel J Cole	post-doc
Jonathan W. Essex	post-doc		Yale
Patric Schyman	post-doc
Ruhong Zhou	post-doc		Yale
Orlando Acevedo	post-doc	2003-2006	Yale
Jayaraman Chandrasekhar	research scientist

Collaborators

BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.
Duong VN, Ippolito JA, Chan AH, et al. (2020) Structural Investigation of 2-Naphthyl Phenyl Ether Inhibitors Bound to WT and Y181C Reverse Transcriptase Highlights Key Features of the NNRTI Binding Site. Protein Science : a Publication of the Protein Society
Newton AS, Faver JC, Micevic G, et al. (2020) Structure-Guided Identification of DNMT3B Inhibitors. Acs Medicinal Chemistry Letters. 11: 971-976
Qian Y, Cabeza de Vaca I, Vilseck JZ, et al. (2019) Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor. The Journal of Physical Chemistry. B
Cole DJ, Cabeza de Vaca I, Jorgensen WL. (2019) Computation of protein-ligand binding free energies using quantum mechanical bespoke force fields. Medchemcomm. 10: 1116-1120
Sasaki T, Gannam ZTK, Kudalkar SN, et al. (2019) Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorganic & Medicinal Chemistry Letters
Tirado-Rives J, Jorgensen WL. (2019) QM/MM Calculations for the Cl + CHCl S2 Reaction in Water Using CM5 Charges and Density Functional Theory. The Journal of Physical Chemistry. A
Cabeza de Vaca I, Zarzuela R, Tirado-Rives J, et al. (2019) Robust FEP Protocols for Creating Molecules in Solution. Journal of Chemical Theory and Computation
Ruiz V, Czyzyk DJ, Valhondo M, et al. (2019) Novel allosteric covalent inhibitors of bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa identified by virtual screening. Bioorganic & Medicinal Chemistry Letters
Robertson MJ, Qian Y, Robinson MC, et al. (2019) Development and Testing of the OPLS-AA/M Force Field for RNA. Journal of Chemical Theory and Computation
Yan XC, Metrano AJ, Robertson MJ, et al. (2018) Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination. Acs Catalysis. 8: 9968-9979