default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDMartin Karplus
Person information
- affiliation: Harvard University, Department of Chemistry and Chemical Biology, USA
- award (2013): Nobel Prize in Chemistry
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2022
[j24]Simone Conti
, Victor Ovchinnikov, Martin Karplus:
ppdx: Automated modeling of protein-protein interaction descriptors for use with machine learning. J. Comput. Chem. 43(25): 1747-1757 (2022)- [j23]Simone Conti, Victor Ovchinnikov, Jonathan G. Faris, Arup K. Chakraborty, Martin Karplus, Kayla G. Sprenger:
Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV. PLoS Comput. Biol. 18(4) (2022)
2010 – 2019
- 2019
- [j22]Simone Conti, Martin Karplus:
Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning. PLoS Comput. Biol. 15(4) (2019)
2000 – 2009
- 2009
- [j21]Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., Lennart Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, Stefan Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, Victor Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus:
CHARMM: The biomolecular simulation program. J. Comput. Chem. 30(10): 1545-1614 (2009) - 2008
- [j20]Marco Cecchini, A. Houdusse, Martin Karplus:
Allosteric Communication in Myosin V: From Small Conformational Changes to Large Directed Movements. PLoS Comput. Biol. 4(8) (2008) - 2007
- [j19]Erik Evensen, Diane Joseph-McCarthy, Gregory A. Weiss, Stuart L. Schreiber, Martin Karplus:
Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4. J. Comput. Aided Mol. Des. 21(7): 395-418 (2007) - 2005
- [j18]Robert J. Petrella, Martin Karplus:
Electrostatic energies and forces computed without explicit interparticle interactions: A linear time complexity formulation. J. Comput. Chem. 26(8): 755-787 (2005) - 2003
- [j17]Vincent Zoete, Olivier Michielin, Martin Karplus:
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. J. Comput. Aided Mol. Des. 17(12): 861-880 (2003) - [j16]Robert J. Petrella, Ioan Andricioaei, Bernard R. Brooks, Martin Karplus:
An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs. J. Comput. Chem. 24(2): 222-231 (2003) - [j15]Marcus Elstner, Qiang Cui, Petra Munih, Efthimios Kaxiras, Thomas Frauenheim, Martin Karplus:
Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis. J. Comput. Chem. 24(5): 565-581 (2003) - 2001
- [j14]Sung-Sau So, Martin Karplus:
Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches. J. Comput. Aided Mol. Des. 15(7): 613-647 (2001) - [j13]Ryan Bitetti-Putzer, Diane Joseph-McCarthy, James M. Hogle, Martin Karplus:
Functional group placement in protein binding sites: a comparison of GRID and MCSS. J. Comput. Aided Mol. Des. 15(10): 935-960 (2001) - [j12]Michael Schaefer, Christian Bartels, Fabrice Leclerc, Martin Karplus:
Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes. J. Comput. Chem. 22(15): 1857-1879 (2001) - 2000
- [j11]Amedeo Caflisch, Hans J. Schramm, Martin Karplus:
Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach. J. Comput. Aided Mol. Des. 14(2): 161-179 (2000) - [j10]Sung-Sau So, Steven P. van Helden, Vincent J. van Geerestein, Martin Karplus:
Quantitative Structure-Activity Relationship Studies of Progesterone Receptor Binding Steroids. J. Chem. Inf. Comput. Sci. 40(3): 762-772 (2000)
1990 – 1999
- 1999
- [j9]Sung-Sau So, Martin Karplus:
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors. J. Comput. Aided Mol. Des. 13(3): 243-258 (1999) - 1997
- [j8]Amedeo Caflisch, Stefan Fischer, Martin Karplus:
Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex. J. Comput. Chem. 18(6): 723-743 (1997) - [j7]Christian Bartels, Martin Karplus:
Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations. J. Comput. Chem. 18(12): 1450-1462 (1997) - 1996
- [j6]Peter D. J. Grootenhuis, Martin Karplus:
Functionality map analysis of the active site cleft of human thrombin. J. Comput. Aided Mol. Des. 10(1): 1-10 (1996) - [j5]Arnaud Blondel, Martin Karplus:
New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities. J. Comput. Chem. 17(9): 1132-1141 (1996) - 1995
- [j4]Benoît Roux, Martin Karplus:
Potential Energy Function for Cation-Peptide Interactions: An Ab Initio Study. J. Comput. Chem. 16(6): 690-704 (1995) - [j3]Bernard R. Brooks, Dusanka Janezic, Martin Karplus:
Harmonic Analysis of Large Systems. I. Methodology. J. Comput. Chem. 16(12): 1522-1542 (1995) - [j2]Dusanka Janezic, Martin Karplus:
Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models. J. Comput. Chem. 16(12): 1543-1553 (1995) - [j1]Dusanka Janezic, Richard M. Venable, Martin Karplus:
Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics. J. Comput. Chem. 16(12): 1554-1568 (1995) - [c1]Andrej Sali, Eugene I. Shakhnovich, Martin Karplus:
Thermodynamics and kinetics of protein folding. Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding 1995: 199-213
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-25 05:49 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
