Author details

Full Name

Hao Fan

Affiliation

College of Biotechnology and Bioengineering, Zhejiang University of Technology

ORCID

Career Start Year

2001

Papers

H Index

Expertise

CM4AI Collaborator

Andrej Sali (CM4AI)

PMID	Paper Title	Journal Title	Published Year
33095579	Structure-Activity Relationships of Noncovalent Immunoproteasome Î²5i-Selective Dipeptides.	J Med Chem	2020
31421725	A novel self-sufficient biocatalyst based on transaminase and pyridoxal 5'-phosphate covalent co-immobilization and its application in continuous biosynthesis of sitagliptin.	Enzyme Microb Technol	2019
29967165	Antimalarial proteasome inhibitor reveals collateral sensitivity from intersubunit interactions and fitness cost of resistance.	Proc Natl Acad Sci U S A	2018
27976853	Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.	Biochemistry	2017
29167449	Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.	Nat Commun	2017
27561172	Immunoproteasome Î²5i-Selective Dipeptidomimetic Inhibitors.	ChemMedChem	2016
27956634	Brief treatment with a highly selective immunoproteasome inhibitor promotes long-term cardiac allograft acceptance in mice.	Proc Natl Acad Sci U S A	2016
26443011	Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.	J Med Chem	2015
24271400	ModBase, a database of annotated comparative protein structure models and associated resources.	Nucleic Acids Res	2014
24802635	Prediction of substrates for glutathione transferases by covalent docking.	J Chem Inf Model	2014
24900849	Oxathiazolones Selectively Inhibit the Human Immunoproteasome over the Constitutive Proteasome.	ACS Med Chem Lett	2014
23256477	Assignment of pterin deaminase activity to an enzyme of unknown function guided by homology modeling and docking.	J Am Chem Soc	2013
24078704	Optimized atomic statistical potentials: assessment of protein interfaces and loops.	Bioinformatics	2013
23972005	Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.	Biochemistry	2013
23968233	Structure-guided discovery of new deaminase enzymes.	J Am Chem Soc	2013
23509259	Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1.	Proc Natl Acad Sci U S A	2013
22183533	Virtual ligand screening against comparative protein structure models.	Methods Mol Biol	2012
22932902	High selectivity of the Î³-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach.	J Biol Chem	2012
22411697	Mimicking the action of folding chaperones by Hamiltonian replica-exchange molecular dynamics simulations: application in the refinement of de novo models.	Proteins	2012
21275375	Enzymatic deamination of the epigenetic base N-6-methyladenine.	J Am Chem Soc	2011
22014038	Statistical potential for modeling and ranking of protein-ligand interactions.	J Chem Inf Model	2011
21823622	Discovery of a cytokinin deaminase.	ACS Chem Biol	2011
21885739	Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.	Proc Natl Acad Sci U S A	2011
21926995	Ligand discovery from a dopamine D3 receptor homology model and crystal structure.	Nat Chem Biol	2011
21247091	Catalytic mechanism and three-dimensional structure of adenine deaminase.	Biochemistry	2011
19845314	Molecular docking screens using comparative models of proteins.	J Chem Inf Model	2009
18338384	Refining homology models by combining replica-exchange molecular dynamics and statistical potentials.	Proteins	2008
19180249	Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics.	J Chem Theory Comput	2008
17489626	How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?	J Phys Chem B	2007
16452612	Mimicking the action of GroEL in molecular dynamics simulations: application to the refinement of protein structures.	Protein Sci	2006
16770796	Molecular dynamics simulations of the hydrophobin SC3 at a hydrophobic/hydrophilic interface.	Proteins	2006
15814616	Comparative study of generalized Born models: protein dynamics.	Proc Natl Acad Sci U S A	2005
16213522	The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules.	J Mol Biol	2005
14691236	Refinement of homology-based protein structures by molecular dynamics simulation techniques.	Protein Sci	2004
15010545	Mimicking the action of folding chaperones in molecular dynamics simulations: Application to the refinement of homology-based protein structures.	Protein Sci	2004
12945054	Relative stability of protein structures determined by X-ray crystallography or NMR spectroscopy: a molecular dynamics simulation study.	Proteins	2003
11394738	Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks.	J Comput Aided Mol Des	2001
11989626	Structure-based ligand design for flexible proteins: application of new F-DycoBlock.	J Comput Aided Mol Des	2001

1 - 38 of 38

Lim Heo

Michigan State University

Career Start Year 2011

Number of shared co-authors 2

Rommie E Amaro

University of California

Career Start Year 2001

Number of shared co-authors 2

Heather A Carlson

University of Michigan ann arbor

Career Start Year 1999

Number of shared co-authors 2

Jo??o P G L M Rodrigues

Stanford University

Career Start Year 1999

Number of shared co-authors 2

Nikolay V Dokholyan

Pennsylvania State University College of Medicine

Career Start Year 1998

Number of shared co-authors 4

David R Hall

Diamond Light Source Ltd, Harwell Science & Innovation Campus

Career Start Year 1998

Number of shared co-authors 4

Roberto Sanchez

Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai

Career Start Year 1996

Number of shared co-authors 5

Mallur S Madhusudhan

Indian Institute of Science Education and Research Pune

Career Start Year 1996

Number of shared co-authors 7

Orly Dym

Weizmann Institute of Science

Career Start Year 1995

Number of shared co-authors 6

Giorgio Colombo

Fondazione IRCCS Ca' Granda Ospedale Maggiore Policlinico

Career Start Year 1993

Number of shared co-authors 0

Alexandre M J J Bonvin

Bijvoet Center for Biomolecular Research, Utrecht University

Career Start Year 1991

Number of shared co-authors 6

Carlos J Camacho

University of Pittsburgh

Career Start Year 1990

Number of shared co-authors 3

Ram Samudrala

Jacobs School of Medicine and Biomedical Sciences, University at Buffalo

Career Start Year 1990

Number of shared co-authors 3

Rebecca C Wade

Center for Molecular Biology (ZMBH), Heidelberg University

Career Start Year 1989

Number of shared co-authors 5

Wladek Minor

University of Virginia

Career Start Year 1989

Number of shared co-authors 8

Paul A Bates

The Francis Crick Institute

Career Start Year 1989

Number of shared co-authors 3

Roland L Dunbrack

Fox Chase Cancer Center

Career Start Year 1989

Number of shared co-authors 6

Miriam Eisenstein

Weizmann Institute of Science

Career Start Year 1988

Number of shared co-authors 3

David Baker

University of Washington

Career Start Year 1988

Number of shared co-authors 10

Herman W T van Vlijmen

Leiden Academic Centre for Drug Research (LACDR), Leiden University

Career Start Year 1988

Number of shared co-authors 2

Piotr Cieplak

Sanford-Burnham-Prebys Medical Discovery Institute

Career Start Year 1987

Number of shared co-authors 1

Diane Joseph-McCarthy

Boston University

Career Start Year 1987

Number of shared co-authors 2

Randy J Read

Cambridge Institute for Medical Research, University of Cambridge

Career Start Year 1982

Number of shared co-authors 3

Sandor Vajda

Boston University

Career Start Year 1982

Number of shared co-authors 6

Ruben Abagyan

Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California

Career Start Year 1981

Number of shared co-authors 4

Haruki Nakamura

Institute for Protein Research, Osaka University

Career Start Year 1980

Number of shared co-authors 5

Charles L Brooks

University of Michigan ann arbor

Career Start Year 1974

Number of shared co-authors 3

Michael Levitt

Stanford University

Career Start Year 1969

Number of shared co-authors 4

Andras Fiser

Albert Einstein College of Medicine

Career Start Year 1968

Number of shared co-authors 17

Jens Meiler

Vanderbilt University

Career Start Year 1954

Number of shared co-authors 5

row(s) 1 - 30 of 30

Andrej Sali (CM4AI)

University of California San Francisco

Co-authored papers 17

Brian K Shoichet

Department of Pharmaceutical Chemistry, University of California san francisco

Co-authored papers 10

John J Irwin

Department of Pharmaceutical Chemistry, University of California san francisco

Co-authored papers 6

Frank M Raushel

Texas A&M University, College Station

Co-authored papers 6

Avner Schlessinger

Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai

Co-authored papers 4

Guang Qiang Dong

University of California san francisco

Co-authored papers 4

Rong Wang

Co-authored papers 4

Kathleen M Giacomini

University of California San Francisco

Co-authored papers 3

Steven C Almo

Albert Einstein College of Medicine

Co-authored papers 3

Dina Schneidman-Duhovny

The Hebrew University of Jerusalem

Co-authored papers 3

Brandan Hillerich

Cue BioPharma Inc.

Co-authored papers 3

Benjamin Webb

University of California san francisco

Co-authored papers 3

Ronald D Seidel

Albert Einstein College of Medicine

Co-authored papers 3

Stephen K Burley

The State University of New Jersey

Co-authored papers 2

Subramanyam Swaminathan

Brookhaven National Laboratory

Co-authored papers 2

Ethan G Geier

Weill Institute for Neurosciences, University of California san francisco

Co-authored papers 2

Daniel S Hitchcock

Broad Institute of MIT and Harvard

Co-authored papers 2

Natalia Khuri

Stanford University

Co-authored papers 2

J Michael Sauder

Eli Lilly and Co.

Co-authored papers 2

Barry Honig

Columbia University Irving Medical Center

Co-authored papers 2

Yunyu Shi

University of Science & Technology of China

Co-authored papers 2

Siddhesh S Kamat

Indian Institute of Science Education and Research Pune

Co-authored papers 2

Alissa M Goble

Texas A&M University , College Station

Co-authored papers 2

Desigan Kumaran

Brookhaven National Laboratory

Co-authored papers 1

Susan T Mashiyama

University of California san francisco

Co-authored papers 1

Argentina Ornelas

The University of Texas MD Anderson Cancer Center

Co-authored papers 1

Rafael Toro

Medical College of Wisconsin

Co-authored papers 1

Allison K Doak

Department of Pharmaceutical Chemistry, University of California San Francisco

Co-authored papers 1

Patricia C Babbitt

University of California san francisco

Co-authored papers 1

Nir London

The Weizmann Institute of Science

Co-authored papers 1

1 - 30

Author Details

Column Actions

Recommended Authors

Collaborators