Stop the war!Остановите войну!
for scientists:
default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDNikolay V. Dokholyan
Person information
- affiliation: The University of North Carolina at Chapel Hill, Department of Biochemistry and Biophysics, NC, USA
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
Journal Articles
- 2022
[j29]Jian Wang
, Nikolay V. Dokholyan:
Yuel: Improving the Generalizability of Structure-Free Compound-Protein Interaction Prediction. J. Chem. Inf. Model. 62(3): 463-471 (2022)- [j28]Huaipan Jiang, Jian Wang, Weilin Cong, Yihe Huang, Morteza Ramezani, Anup Sarma, Nikolay V. Dokholyan, Mehrdad Mahdavi, Mahmut T. Kandemir:
Predicting Protein-Ligand Docking Structure with Graph Neural Network. J. Chem. Inf. Model. 62(12): 2923-2932 (2022) - 2020
- [j27]Huaipan Jiang, Mengran Fan, Jian Wang, Anup Sarma, Shruti Mohanty, Nikolay V. Dokholyan, Mehrdad Mahdavi, Mahmut T. Kandemir:
Guiding Conventional Protein-Ligand Docking Software with Convolutional Neural Networks. J. Chem. Inf. Model. 60(10): 4594-4602 (2020) - 2019
- [j26]Jian Wang, Nikolay V. Dokholyan:
MedusaDock 2.0: Efficient and Accurate Protein-Ligand Docking With Constraints. J. Chem. Inf. Model. 59(6): 2509-2515 (2019) - [j25]Nicholas I. Brodie, Konstantin I. Popov, Evgeniy V. Petrotchenko, Nikolay V. Dokholyan, Christoph H. Borchers:
Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations. PLoS Comput. Biol. 15(3) (2019) - [j24]Elizabeth A. Proctor, David D. Mowrey, Nikolay V. Dokholyan:
β-Methylamino-L-alanine substitution of serine in SOD1 suggests a direct role in ALS etiology. PLoS Comput. Biol. 15(7) (2019) - 2017
- [j23]Jhuma Das, Andrei A. Aleksandrov, Liying Cui, Lihua He, John R. Riordan, Nikolay V. Dokholyan:
Transmembrane helical interactions in the CFTR channel pore. PLoS Comput. Biol. 13(6) (2017) - 2016
- [j22]Regina Politi, Marino Convertino, Konstantin I. Popov, Nikolay V. Dokholyan, Alexander Tropsha:
Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise. J. Chem. Inf. Model. 56(6): 1032-1041 (2016) - 2015
- [j21]Andrey Krokhotin, Kevin Houlihan, Nikolay V. Dokholyan:
iFoldRNA v2: folding RNA with constraints. Bioinform. 31(17): 2891-2893 (2015) - [j20]Benfeard Williams II, Marino Convertino, Jhuma Das, Nikolay V. Dokholyan:
ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations. PLoS Comput. Biol. 11(10) (2015) - 2013
- [j19]Feng Ding, Nikolay V. Dokholyan:
Incorporating Backbone Flexibility in MedusaDock Improves Ligand-Binding Pose Prediction in the CSAR2011 Docking Benchmark. J. Chem. Inf. Model. 53(8): 1871-1879 (2013) - [j18]Denis Fourches, Eugene N. Muratov, Feng Ding, Nikolay V. Dokholyan, Alexander Tropsha:
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches. J. Chem. Inf. Model. 53(8): 1915-1922 (2013) - 2012
- [j17]Jui-Hua Hsieh, Shuangye Yin, Xiang S. Wang, Shubin Liu, Nikolay V. Dokholyan, Alexander Tropsha:
Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening. J. Chem. Inf. Model. 52(1): 16-28 (2012) - 2011
- [j16]David Shirvanyants, Anastassia N. Alexandrova, Nikolay V. Dokholyan:
Rigid substructure search. Bioinform. 27(9): 1327-1329 (2011) - [j15]Pradeep Kota, Feng Ding, Srinivas Ramachandran, Nikolay V. Dokholyan:
Gaia: automated quality assessment of protein structure models. Bioinform. 27(16): 2209-2215 (2011) - [j14]Jui-Hua Hsieh, Shuangye Yin, Shubin Liu, Alexander Sedykh, Nikolay V. Dokholyan, Alexander Tropsha:
Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets. J. Chem. Inf. Model. 51(9): 2027-2035 (2011) - [j13]Srinivas Ramachandran, Lisa Vogel, Brian D. Strahl, Nikolay V. Dokholyan:
Thermodynamic Stability of Histone H3 Is a Necessary but not Sufficient Driving Force for its Evolutionary Conservation. PLoS Comput. Biol. 7(1) (2011) - 2010
- [j12]Feng Ding, Shuangye Yin, Nikolay V. Dokholyan:
Rapid Flexible Docking Using a Stochastic Rotamer Library of Ligands. J. Chem. Inf. Model. 50(9): 1623-1632 (2010) - [j11]Vinal V. Lakhani, Feng Ding, Nikolay V. Dokholyan:
Polyglutamine Induced Misfolding of Huntingtin Exon1 is Modulated by the Flanking Sequences. PLoS Comput. Biol. 6(4) (2010) - 2009
- [j10]Srinivas Ramachandran, Adrian W. R. Serohijos, Le Xu, Gerhard Meissner, Nikolay V. Dokholyan:
A Structural Model of the Pore-Forming Region of the Skeletal Muscle Ryanodine Receptor (RyR1). PLoS Comput. Biol. 5(4) (2009) - 2008
- [j9]Shantanu Sharma, Feng Ding, Nikolay V. Dokholyan:
iFoldRNA: three-dimensional RNA structure prediction and folding. Bioinform. 24(17): 1951-1952 (2008) - [j8]Shuangye Yin, Lada Biedermannová, Jirí Vondrásek, Nikolay V. Dokholyan:
MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening. J. Chem. Inf. Model. 48(8): 1656-1662 (2008) - [j7]Adrian W. R. Serohijos, Tamás Hegedüs, John R. Riordan, Nikolay V. Dokholyan:
Diminished Self-Chaperoning Activity of the ΔF508 Mutant of CFTR Results in Protein Misfolding. PLoS Comput. Biol. 4(2) (2008) - [j6]Denise G. Teotico, Monica L. Frazier, Feng Ding, Nikolay V. Dokholyan, Brenda R. S. Temple, Matthew R. Redinbo:
Active Nuclear Receptors Exhibit Highly Correlated AF-2 Domain Motions. PLoS Comput. Biol. 4(7) (2008) - [j5]Jihua Hao, Adrian W. R. Serohijos, Gail Newton, Gina Tassone, Zuncai Wang, Dennis C. Sgroi, Nikolay V. Dokholyan, James P. Basilion:
Identification and Rational Redesign of Peptide Ligands to CRIP1, A Novel Biomarker for Cancers. PLoS Comput. Biol. 4(8) (2008) - 2006
- [j4]Shantanu Sharma, Feng Ding, Huifen Nie, Daniel Watson, Aditya Unnithan, Jameson Lopp, Diane Pozefsky, Nikolay V. Dokholyan:
iFold: a platform for interactive folding simulations of proteins. Bioinform. 22(21): 2693-2694 (2006) - [j3]Feng Ding, Nikolay V. Dokholyan:
Emergence of Protein Fold Families through Rational Design. PLoS Comput. Biol. 2(7) (2006) - [j2]Feng Ding, Nikolay V. Dokholyan:
Correction: Emergence of Protein Fold Families through Rational Design. PLoS Comput. Biol. 2(10) (2006) - 2005
- [j1]Sagar D. Khare, Feng Ding, Kenneth N. Gwanmesia, Nikolay V. Dokholyan:
Molecular Origin of Polyglutamine Aggregation in Neurodegenerative Diseases. PLoS Comput. Biol. 1(3) (2005)
Conference and Workshop Papers
- 2024
- [c2]Debarshi Kundu, Archisman Ghosh, Srinivasan Ekambaram, Jian Wang, Nikolay V. Dokholyan, Swaroop Ghosh:
Application of Quantum Tensor Networks for Protein Classification. ACM Great Lakes Symposium on VLSI 2024: 132-137 - 2021
- [c1]Junde Li, Mahabubul Alam, Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan, Swaroop Ghosh:
Invited: Drug Discovery Approaches using Quantum Machine Learning. DAC 2021: 1356-1359
Informal and Other Publications
- 2024
- [i4]Debarshi Kundu, Archisman Ghosh, Srinivasan Ekambaram, Jian Wang, Nikolay V. Dokholyan, Swaroop Ghosh:
Application of Quantum Tensor Networks for Protein Classification. CoRR abs/2403.06890 (2024) - 2023
- [i3]Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan:
Differentiable Rotamer Sampling with Molecular Force Fields. CoRR abs/2302.11430 (2023) - 2021
- [i2]Junde Li, Mahabubul Alam, Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan, Swaroop Ghosh:
Drug Discovery Approaches using Quantum Machine Learning. CoRR abs/2104.00746 (2021) - [i1]Congzhou M. Sha, Nikolay V. Dokholyan:
Simple exponential acceleration of the power iteration algorithm. CoRR abs/2109.10884 (2021)
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 2024-07-09 05:42 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:
