The occurrence of the E440–N721 hydrogen bond in the five independent simulations of 500 ns for each of the complexes GluK2-trans, GluK2-cis and GluK2-glutamate, expressed as the percentage of the total simulation time.

Changes in the hydrogen bonds between residues Asp205 and Arg447 and residues Glu216 and Lys458 during the TMD simulation.

Min Huang (161268)
Shaoyong Lu (280642)
Ting Shi (3955)
Yaxue Zhao (280643)
Yingyi Chen (186159)
Xiaobai Li (152726)
Xinyi Liu (186154)
Zhimin Huang (147312)
Jian Zhang (1682)

February 2013

(A) Snapshots at 1 ps, 300 ps, 700 ps and 1000 ps. (B) Distances from the Oε1 and O<su...

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.

Jeffrey M. Sanders (276674)
Matthew E. Wampole (276676)
Mathew L. Thakur (276678)
Eric Wickstrom (276679)

January 2013

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</p

Hydrogen bonds plot for 12 ns MD simulation.

Zainab Noor (802903)
Noreen Afzal (802904)
Sajid Rashid (277111)

October 2015

(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...

Hydrogen bond patterns in the GluK2-trans complex in course of MD simulations of 500 ns.

Yanan Guo (116950)
Tino Wolter (394013)
Tomáš Kubař (787843)
Martin Sumser (787844)
Dirk Trauner (549007)
Marcus Elstner (394014)

August 2015

P516: HBs between the α-amino acid group of gluazo and the backbone carbonyl group ...

Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% occupancy throughout 70ns simulation time.

Maywan Hariono (6260969)
Sy Bing Choi (4408978)
Ros Fatihah Roslim (6260972)
Mohamed Sufian Nawi (6260975)
Mei Lan Tan (678491)
Ezatul Ezleen Kamarulzaman (6260978)
Nornisah Mohamed (1375221)
Rohana Yusof (401395)
Shatrah Othman (6260981)
Noorsaadah Abd Rahman (550281)
Rozana Othman (677989)
Habibah A. Wahab (1425556)

January 2019

Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% oc...

The number of H-bonds between ORO and α-HL during the 200-ns simulation.

Jing Dong (102657)
Jiazhang Qiu (232733)
Yu Zhang (12946)
Chongjian Lu (287986)
Xiaohan Dai (287988)
Jianfeng Wang (232744)
Hongen Li (232742)
Xin Wang (91924)
Wei Tan (123562)
Mingjing Luo (232739)
Xiaodi Niu (287991)
Xuming Deng (158166)

February 2013

During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...

The Hydrogen Bond Distances between Arg206 and Glu45

Xiaolin Cheng (21677)
Hailong Wang (21678)
Barry Grant (21679)
Steven M Sine (21680)
J. Andrew McCammon (12411)

February 2013

<div>(A) During the 10-ns control simulation.(B) During the 4-ns TMD simulation.Det...

Hydrogen bond footprints of the 100 ns MD simulations of groupM and groupL.

Bernhard Knapp (245599)
James Dunbar (610887)
Charlotte M. Deane (50371)

August 2014

The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...

Hydrogen-Bond occupancies analysis from the results of MD simulations for peptide-PKA interactions for the common groups of the mutants derived from Kemptide (WT).

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Hydrogen-Bond occupancies analysis from the results of MD simulations for the peptide-PKA interactions between mutated amino acids.

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Hydrogen bond interactions.

Sirilak Kongkaew (791375)
Pathumwadee Yotmanee (791376)
Thanyada Rungrotmongkol (791377)
Nopporn Kaiyawet (791378)
Arthitaya Meeprasert (791379)
Toshikatsu Kaburaki (153465)
Hiroshi Noguchi (610885)
Fujio Takeuchi (791380)
Nawee Kungwan (631628)
Supot Hannongbua (791381)

September 2015

The percentage occupancy of H-bonds averaged over the last 25 ns of simulation time between the n...

Hydrogen Bond Occupancies in Molecular Dynamics Simulation of Tripeptide Systems.

Chaya Rapp (385670)
Hadassa Klerman (326549)
Emily Levine (385671)
Christopher L. McClendon (236062)

March 2013

Columns report the percentage of frames showing a particular hydrogen bond for tripeptides Xxx-Gl...

Hydrogen bond networks of the complexes.

Ge-Fei Hao (364656)
Guang-Fu Yang (364659)

February 2013

aOccupancy of hydrogen bonds (The occupancy >70% were listed).b<...

Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in GBHCT model.

Surasak Chunsrivirot (2158330)
Pongsakorn Kanjanatanin (3537338)
Rath Pichyangkura (3537332)

August 2018

Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in G...

Hydrogen-Bond occupancies analysis from the results of MD simulations for the peptide-PKA interactions for shorter chain peptides derived from Kemptide (WT).

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Changes in the hydrogen bonds between residues Asp205 and Arg447 and residues Glu216 and Lys458 during the TMD simulation.

Min Huang (161268)
Shaoyong Lu (280642)
Ting Shi (3955)
Yaxue Zhao (280643)
Yingyi Chen (186159)
Xiaobai Li (152726)
Xinyi Liu (186154)
Zhimin Huang (147312)
Jian Zhang (1682)

February 2013

(A) Snapshots at 1 ps, 300 ps, 700 ps and 1000 ps. (B) Distances from the Oε1 and O<su...

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.

Jeffrey M. Sanders (276674)
Matthew E. Wampole (276676)
Mathew L. Thakur (276678)
Eric Wickstrom (276679)

January 2013

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</p

Hydrogen bonds plot for 12 ns MD simulation.

Zainab Noor (802903)
Noreen Afzal (802904)
Sajid Rashid (277111)

October 2015

(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...

Hydrogen bond patterns in the GluK2-trans complex in course of MD simulations of 500 ns.

Yanan Guo (116950)
Tino Wolter (394013)
Tomáš Kubař (787843)
Martin Sumser (787844)
Dirk Trauner (549007)
Marcus Elstner (394014)

August 2015

P516: HBs between the α-amino acid group of gluazo and the backbone carbonyl group ...

Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% occupancy throughout 70ns simulation time.

Maywan Hariono (6260969)
Sy Bing Choi (4408978)
Ros Fatihah Roslim (6260972)
Mohamed Sufian Nawi (6260975)
Mei Lan Tan (678491)
Ezatul Ezleen Kamarulzaman (6260978)
Nornisah Mohamed (1375221)
Rohana Yusof (401395)
Shatrah Othman (6260981)
Noorsaadah Abd Rahman (550281)
Rozana Othman (677989)
Habibah A. Wahab (1425556)

January 2019

Hydrogen bonds between compound 18 and compound 21 with NS2B/NS3pro that found with at least 0.1% oc...

The number of H-bonds between ORO and α-HL during the 200-ns simulation.

Jing Dong (102657)
Jiazhang Qiu (232733)
Yu Zhang (12946)
Chongjian Lu (287986)
Xiaohan Dai (287988)
Jianfeng Wang (232744)
Hongen Li (232742)
Xin Wang (91924)
Wei Tan (123562)
Mingjing Luo (232739)
Xiaodi Niu (287991)
Xuming Deng (158166)

February 2013

During the simulation time, the number of hydrogen bonds fluctuates mostly between 1and 2, which ...

The Hydrogen Bond Distances between Arg206 and Glu45

Xiaolin Cheng (21677)
Hailong Wang (21678)
Barry Grant (21679)
Steven M Sine (21680)
J. Andrew McCammon (12411)

February 2013

<div>(A) During the 10-ns control simulation.(B) During the 4-ns TMD simulation.Det...

Hydrogen bond footprints of the 100 ns MD simulations of groupM and groupL.

Bernhard Knapp (245599)
James Dunbar (610887)
Charlotte M. Deane (50371)

August 2014

The normalized frequency of occurring H-bonds over simulation time is shown. The frequency is zer...

Hydrogen-Bond occupancies analysis from the results of MD simulations for peptide-PKA interactions for the common groups of the mutants derived from Kemptide (WT).

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Hydrogen-Bond occupancies analysis from the results of MD simulations for the peptide-PKA interactions between mutated amino acids.

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Hydrogen bond interactions.

Sirilak Kongkaew (791375)
Pathumwadee Yotmanee (791376)
Thanyada Rungrotmongkol (791377)
Nopporn Kaiyawet (791378)
Arthitaya Meeprasert (791379)
Toshikatsu Kaburaki (153465)
Hiroshi Noguchi (610885)
Fujio Takeuchi (791380)
Nawee Kungwan (631628)
Supot Hannongbua (791381)

September 2015

The percentage occupancy of H-bonds averaged over the last 25 ns of simulation time between the n...

Hydrogen Bond Occupancies in Molecular Dynamics Simulation of Tripeptide Systems.

Chaya Rapp (385670)
Hadassa Klerman (326549)
Emily Levine (385671)
Christopher L. McClendon (236062)

March 2013

Columns report the percentage of frames showing a particular hydrogen bond for tripeptides Xxx-Gl...

Hydrogen bond networks of the complexes.

Ge-Fei Hao (364656)
Guang-Fu Yang (364659)

February 2013

aOccupancy of hydrogen bonds (The occupancy >70% were listed).b<...

Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in GBHCT model.

Surasak Chunsrivirot (2158330)
Pongsakorn Kanjanatanin (3537338)
Rath Pichyangkura (3537332)

August 2018

Occurrence frequency of hydrogen bonds per structure of L34B0, L34B1, L34B3 and L34B5 simulated in G...

Hydrogen-Bond occupancies analysis from the results of MD simulations for the peptide-PKA interactions for shorter chain peptides derived from Kemptide (WT).

Karel Mena-Ulecia (596272)
Ariela Vergara-Jaque (638616)
Horacio Poblete (638617)
William Tiznado (596273)
Julio Caballero (531146)

October 2014

a Peptide-PKA heavy atoms that form a HB (Notations of atoms refer to the name of atoms from the ...

Changes in the hydrogen bonds between residues Asp205 and Arg447 and residues Glu216 and Lys458 during the TMD simulation.

Min Huang (161268)
Shaoyong Lu (280642)
Ting Shi (3955)
Yaxue Zhao (280643)
Yingyi Chen (186159)
Xiaobai Li (152726)
Xinyi Liu (186154)
Zhimin Huang (147312)
Jian Zhang (1682)

February 2013

(A) Snapshots at 1 ps, 300 ps, 700 ps and 1000 ps. (B) Distances from the Oε1 and O<su...

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.

Jeffrey M. Sanders (276674)
Matthew E. Wampole (276676)
Mathew L. Thakur (276678)
Eric Wickstrom (276679)

January 2013

Residues involved in hydrogen bonding during the last 6.0 ns of each simulation.</p

Hydrogen bonds plot for 12 ns MD simulation.

Zainab Noor (802903)
Noreen Afzal (802904)
Sajid Rashid (277111)

October 2015

(a) Hydrogen bonds for HDAC2-C8 complex (yellow). (b) Hydrogen bonds for HDAC8-C8 complex (green)...

The occurrence of the E440–N721 hydrogen bond in the five independent simulations of 500 ns for each of the complexes GluK2-<i>trans</i>, GluK2-<i>cis</i> and GluK2-<i>glutamate</i>, expressed as the percentage of the total simulation time.

Abstract

Extracted data

The occurrence of the E440–N721 hydrogen bond in the five independent simulations of 500 ns for each of the complexes GluK2-<i>trans</i>, GluK2-<i>cis</i> and GluK2-<i>glutamate</i>, expressed as the percentage of the total simulation time.

Abstract

Extracted data

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